data_1kj6_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 1kj6 _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 6' ' ' LEU . . . . . 0.411 HD12 ' O ' ' A' ' 6' ' ' LEU . 1.2 pp . . . . . 0 C--O 1.23 0.058 0 CA-C-O 121.046 0.451 . . . . 0.0 110.814 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.49 ' H ' ' HG3' ' A' ' 7' ' ' GLN . 2.9 mt-30 -64.84 -2.91 2.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.975 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.06 -15.85 52.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -154.78 21.4 0.45 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.95 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -61.95 -31.23 71.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.021 0.439 . . . . 0.0 110.242 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.9 t -93.57 -8.2 41.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.137 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.444 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 1.8 tpp85 -94.74 -20.25 19.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.596 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.1 m -88.28 -32.07 5.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.548 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.78 36.19 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.896 0.379 . . . . 0.0 110.776 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.28 -146.55 0.15 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.732 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -149.25 -97.78 0.18 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.611 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.425 HH22 HH21 ' A' ' 43' ' ' ARG . 1.8 ptp180 -110.35 174.5 5.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.816 0.341 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.8 m -129.84 139.36 51.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.081 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.518 ' O ' ' HG2' ' A' ' 38' ' ' ARG . . . -100.09 158.69 15.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.529 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.0 t -82.59 -38.52 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.309 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.62 -68.27 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.733 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.5 p -112.81 148.89 33.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.343 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.77 173.93 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.104 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.467 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 4.6 mm? -92.11 140.84 24.67 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.552 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -60.26 -19.33 57.03 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.698 2.265 . . . . 0.0 112.957 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -93.23 7.58 43.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.543 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.467 ' CG ' ' HB2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -150.15 153.95 37.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.057 0.456 . . . . 0.0 111.864 -179.762 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.698 ' HB3' ' HZ1' ' A' ' 44' ' ' LYS . 7.3 pt-20 -100.19 164.41 11.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.035 179.306 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.612 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 1.6 tt0 -91.16 137.79 32.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.011 0.434 . . . . 0.0 111.078 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.459 HD12 ' SG ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -119.22 -22.38 3.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.385 -179.564 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 179.06 -177.54 48.49 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.431 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -83.56 130.16 34.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.788 0.328 . . . . 0.0 110.591 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -97.48 9.78 41.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.313 -179.571 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.415 ' HB3' ' H ' ' A' ' 35' ' ' THR . 5.0 t -151.78 -97.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.833 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.415 ' H ' ' HB3' ' A' ' 34' ' ' SER . 1.4 t -171.59 -27.51 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.623 0.249 . . . . 0.0 111.46 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -166.73 108.56 0.69 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.526 -179.865 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.12 -6.94 40.32 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 120.765 -0.731 . . . . 0.0 113.467 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.581 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 47.0 mtp180 -129.39 164.56 23.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.892 0.377 . . . . 0.0 111.445 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.581 ' HG3' ' C ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -150.73 174.97 12.42 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.52 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.612 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 49.8 t -112.45 136.25 52.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.206 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.543 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 1.7 m -123.72 140.38 53.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.43 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.62 120.22 31.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.294 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.425 HH21 HH22 ' A' ' 17' ' ' ARG . 0.2 OUTLIER -50.24 133.12 24.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.449 -179.213 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.698 ' HZ1' ' HB3' ' A' ' 28' ' ' GLU . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.828 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.422 HD12 ' O ' ' A' ' 6' ' ' LEU . 1.1 pp . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.954 0.407 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -64.39 -4.41 3.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -82.39 -14.94 54.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.423 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.407 ' CZ ' ' HB2' ' A' ' 6' ' ' LEU . 19.4 p90 -155.92 28.32 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.433 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -73.2 -35.74 66.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.954 0.407 . . . . 0.0 110.303 179.471 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.563 ' SG ' ' HA3' ' A' ' 15' ' ' GLY . 44.2 t -81.99 -4.14 56.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.344 0.593 . . . . 0.0 109.811 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.92 -30.76 16.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.714 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 10' ' ' TYR . 28.1 m -84.91 -29.36 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.333 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.5 ptt180 -168.5 52.86 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.925 0.393 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.563 ' HA3' ' SG ' ' A' ' 11' ' ' CYS . . . -86.2 122.87 6.21 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.733 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.74 -82.41 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.113 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -131.78 160.47 35.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.657 0.265 . . . . 0.0 110.401 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.3 m -122.25 135.5 54.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.212 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.492 ' O ' ' HG2' ' A' ' 38' ' ' ARG . . . -99.75 154.4 18.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.551 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.2 t -83.12 -27.71 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.657 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.64 -80.18 0.59 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.87 0.367 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.7 m -131.11 163.55 27.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.825 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -48.45 162.63 0.09 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.143 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.458 ' C ' ' H ' ' A' ' 26' ' ' LYS . 4.3 mm? -88.37 149.85 45.53 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.441 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -71.21 24.48 0.22 Allowed 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.875 2.384 . . . . 0.0 112.911 -179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.458 ' H ' ' C ' ' A' ' 24' ' ' LEU . 4.0 mmtm -146.51 20.99 1.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.738 0.304 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.418 ' HG3' ' HB2' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -157.21 164.75 37.41 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.009 0.433 . . . . 0.0 111.687 -179.83 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.49 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 3.1 pt-20 -110.03 161.6 15.36 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.742 178.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.492 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 1.0 OUTLIER -88.04 142.17 28.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.045 0.45 . . . . 0.0 111.543 -179.214 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -118.47 -22.94 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.019 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 179.79 -151.22 9.83 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.522 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -122.19 115.32 22.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.761 0.315 . . . . 0.0 110.701 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.7 t -75.22 -7.85 55.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.053 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -160.98 178.2 9.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.97 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.4 p -115.98 -1.3 12.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.321 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 36' ' ' ARG . 33.5 mtt-85 -81.3 -3.27 52.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.965 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 115.04 46.39 0.59 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.48 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.523 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 4.7 mtt85 -124.78 176.97 6.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.681 0.277 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.523 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -150.46 161.23 42.92 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.802 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.492 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 4.0 t -108.0 131.5 54.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.052 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.49 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -123.55 143.91 49.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.015 0.436 . . . . 0.0 111.598 -179.857 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -128.23 124.54 36.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.024 179.384 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.403 ' N ' ' HB3' ' A' ' 27' ' ' GLU . 0.7 OUTLIER -39.2 131.19 1.55 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.821 -179.036 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.21 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.133 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.421 ' C ' ' H ' ' A' ' 8' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.102 0.477 . . . . 0.0 110.72 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -65.03 -1.31 2.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.781 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.421 ' H ' ' C ' ' A' ' 6' ' ' LEU . 9.0 mmtt -83.71 -19.1 35.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.519 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.411 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 3.6 p90 -156.49 36.17 0.32 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.272 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.8 -38.64 67.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.822 0.344 . . . . 0.0 110.768 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 33.1 t -83.58 12.99 4.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.347 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -112.01 -31.63 6.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.007 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.7 m -83.4 -37.79 13.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.573 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -152.08 26.73 0.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.001 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.96 116.48 8.59 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.634 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.2 -79.09 0.21 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -131.96 172.24 12.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.794 0.33 . . . . 0.0 110.98 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.486 ' SG ' ' HD2' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -133.65 142.4 48.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.5 179.786 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -103.5 168.89 8.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.998 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.1 t -82.79 -43.31 18.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.308 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.579 HD21 ' HG ' ' A' ' 22' ' ' SER . 5.9 tp -120.75 -70.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.799 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.579 ' HG ' HD21 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -117.36 150.59 38.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.766 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.6 174.74 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.98 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.524 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 79.3 mt -92.61 154.12 42.42 Favored Pre-proline 0 C--N 1.332 -0.193 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.023 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.52 -19.0 33.06 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.553 2.169 . . . . 0.0 112.999 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.24 11.02 33.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.56 -179.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.524 ' CG ' ' HB2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -151.13 145.42 25.44 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.904 0.383 . . . . 0.0 111.631 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.544 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 10.3 pt-20 -93.92 163.8 13.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.469 179.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.587 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 1.1 tm0? -90.76 136.76 32.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.902 0.382 . . . . 0.0 111.236 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.56 HD12 ' HB2' ' A' ' 42' ' ' ARG . 0.4 OUTLIER -121.61 -19.21 4.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.333 -179.804 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -164.95 -167.69 25.92 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.962 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -110.45 116.86 32.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.874 0.368 . . . . 0.0 110.858 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.459 ' HB3' ' HB3' ' A' ' 38' ' ' ARG . 3.4 t -70.39 -30.58 67.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.006 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.588 ' HB3' ' HE ' ' A' ' 38' ' ' ARG . 0.8 OUTLIER -167.08 154.24 8.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.8 p -86.32 11.59 11.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.263 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.0 mtm105 -98.09 -15.62 19.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.982 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 134.37 42.32 0.14 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.626 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.588 ' HE ' ' HB3' ' A' ' 34' ' ' SER . 67.6 mtm-85 -128.83 167.17 17.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.733 0.302 . . . . 0.0 110.668 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.498 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 2.8 mptp? -150.41 166.95 28.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.477 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.587 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 2.2 t -105.73 123.44 47.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.544 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.8 OUTLIER -111.76 144.45 41.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.04 0.448 . . . . 0.0 111.534 -179.623 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.56 ' HB2' HD12 ' A' ' 30' ' ' ILE . 4.6 tmm_? -125.46 115.12 19.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.005 179.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.405 ' N ' ' HB3' ' A' ' 27' ' ' GLU . 2.7 ttt180 -54.02 130.56 38.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.98 -179.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.205 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.429 ' HB2' ' CE2' ' A' ' 9' ' ' TYR . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.092 0.472 . . . . 0.0 110.991 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.402 ' H ' ' HG3' ' A' ' 7' ' ' GLN . 0.7 OUTLIER -66.77 -4.81 9.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.555 179.612 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.1 mmtp -83.76 -17.73 40.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.144 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.429 ' CE2' ' HB2' ' A' ' 6' ' ' LEU . 4.8 p90 -155.65 30.26 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.414 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.44 -13.99 61.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.94 0.4 . . . . 0.0 110.419 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.599 ' SG ' ' HA3' ' A' ' 15' ' ' GLY . 44.9 t -105.75 -10.1 16.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.698 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -91.62 -6.46 52.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.0 m -103.06 -30.4 2.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.425 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -168.15 25.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.467 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.599 ' HA3' ' SG ' ' A' ' 11' ' ' CYS . . . -58.54 151.14 33.17 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.877 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.97 -100.45 1.0 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.612 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -109.71 179.63 4.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.738 0.304 . . . . 0.0 110.824 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.4 m -128.11 139.22 52.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.184 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.25 161.06 13.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.375 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 23.8 t -81.62 -41.06 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.9 0.381 . . . . 0.0 111.287 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.71 -60.9 0.86 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.374 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.6 t -117.61 144.65 44.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.398 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.66 173.49 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.151 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.483 ' HB2' ' HG3' ' A' ' 27' ' ' GLU . 4.6 mm? -91.02 146.66 34.1 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.784 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 24' ' ' LEU . 24.7 Cg_exo -63.67 -20.28 68.79 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.784 2.323 . . . . 0.0 113.118 -179.138 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.04 2.85 56.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.624 -179.321 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.483 ' HG3' ' HB2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -145.09 139.35 27.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.993 0.425 . . . . 0.0 111.476 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.505 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -86.89 165.67 15.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.347 179.621 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.545 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 0.6 OUTLIER -90.69 136.56 32.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.966 0.413 . . . . 0.0 110.885 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.484 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.1 pt -115.36 -22.94 4.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.99 -179.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 178.87 -149.12 8.66 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.611 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -109.58 99.29 8.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.766 0.317 . . . . 0.0 110.248 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -51.48 -83.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.16 -179.484 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.7 t -83.46 -163.28 0.73 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.838 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.6 t -60.33 170.82 1.2 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.187 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -48.73 109.52 0.26 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.125 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 147.48 -25.59 1.52 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.917 -0.658 . . . . 0.0 112.362 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.521 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 34.0 mtt180 -115.83 -175.21 2.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.663 0.268 . . . . 0.0 110.707 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.521 ' HG3' ' C ' ' A' ' 38' ' ' ARG . 0.1 OUTLIER -148.14 164.58 33.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.734 -179.809 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.545 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 9.1 t -107.46 131.81 53.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.435 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.505 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 2.9 m -113.87 144.66 42.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.316 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -121.8 110.54 16.03 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.031 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.42 ' N ' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -59.43 132.27 53.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.181 -179.311 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.818 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.403 HD12 ' O ' ' A' ' 6' ' ' LEU . 1.0 OUTLIER . . . . . 0 CA--C 1.526 0.047 0 CA-C-O 121.064 0.459 . . . . 0.0 110.805 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.52 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 5.0 mt-30 -66.38 -4.27 7.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.28 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.87 -12.4 57.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.895 0.379 . . . . 0.0 110.74 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -155.62 17.74 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.537 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.52 ' HB2' ' HA ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -60.47 -33.17 72.19 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.401 179.724 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.559 ' HB2' HG13 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -90.57 -11.46 40.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.891 179.407 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.414 ' HB2' HH11 ' A' ' 12' ' ' ARG . 0.0 OUTLIER -83.84 -23.15 31.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.505 179.516 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.641 HG22 ' HG3' ' A' ' 14' ' ' ARG . 5.8 m -90.77 -44.02 14.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.105 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.641 ' HG3' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -152.79 61.78 0.79 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.794 179.856 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -113.25 -116.6 3.35 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.581 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 179.25 -98.88 0.12 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.674 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -114.42 176.17 5.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.756 0.313 . . . . 0.0 110.796 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.8 m -129.19 136.27 49.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.16 157.51 16.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.816 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.9 t -83.0 -28.04 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.459 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.6 mp -129.88 -80.67 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.056 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.1 t -110.62 155.36 22.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.987 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.22 172.65 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.147 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.466 ' HB2' ' HG3' ' A' ' 27' ' ' GLU . 3.6 mm? -91.59 150.37 40.95 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.401 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -74.42 27.53 0.34 Allowed 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.536 2.157 . . . . 0.0 112.97 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.41 ' H ' ' C ' ' A' ' 24' ' ' LEU . 25.0 mttt -146.86 11.05 1.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.055 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.466 ' HG3' ' HB2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -148.69 164.14 35.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.08 0.467 . . . . 0.0 111.822 -179.523 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.596 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 8.2 pt-20 -108.23 161.68 14.78 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.619 -0.718 . . . . 0.0 109.911 179.202 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.51 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -90.28 139.51 30.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.082 0.468 . . . . 0.0 111.422 -179.57 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.559 HG13 ' HB2' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -116.88 -28.16 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.441 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 172.17 171.3 36.98 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.427 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.87 126.69 30.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.745 0.307 . . . . 0.0 110.945 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.4 t -89.22 11.51 18.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -159.54 -166.57 1.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 t -117.61 -18.62 9.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.194 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -72.78 -79.97 0.07 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.95 57.36 0.22 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.548 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.567 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 27.3 mtt180 -120.06 -176.84 3.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 110.933 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.567 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -149.67 160.1 43.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.846 -179.711 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.51 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 0.5 OUTLIER -113.25 130.84 56.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.631 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.596 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -121.27 136.57 54.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.128 0.489 . . . . 0.0 111.914 -179.695 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.405 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -112.86 117.14 31.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.266 179.74 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.412 ' N ' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -47.74 136.71 10.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.207 -179.618 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.164 -179.784 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.404 ' HB2' ' CE1' ' A' ' 9' ' ' TYR . 1.1 pp . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.916 0.388 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.456 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -66.26 -2.84 4.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 179.758 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.7 mmtm -82.31 -15.45 52.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.828 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.404 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -154.91 25.37 0.44 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.626 179.584 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.456 ' HB2' ' HA ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -60.37 -29.83 69.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.635 179.755 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.46 ' HA ' ' HA3' ' A' ' 15' ' ' GLY . 0.5 OUTLIER -85.0 -20.52 30.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.68 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -79.14 -45.35 20.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.709 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.5 m -64.71 -36.0 76.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.001 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.593 ' HG3' ' H ' ' A' ' 15' ' ' GLY . 0.3 OUTLIER -165.22 -72.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 179.809 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.593 ' H ' ' HG3' ' A' ' 14' ' ' ARG . . . 56.52 -130.88 50.69 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.743 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -167.8 -88.63 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.182 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -127.55 151.62 48.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.706 0.289 . . . . 0.0 110.266 179.444 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.1 m -114.27 137.83 51.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.801 0.334 . . . . 0.0 111.435 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.5 156.73 16.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.578 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.0 t -82.54 -32.11 10.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.587 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.93 -69.56 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.818 0.342 . . . . 0.0 110.837 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.0 t -117.92 152.61 35.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.796 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.7 171.37 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.039 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.576 HD12 ' HD2' ' A' ' 25' ' ' PRO . 2.8 mm? -92.24 145.3 30.46 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.045 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.576 ' HD2' HD12 ' A' ' 24' ' ' LEU . 57.8 Cg_endo -71.98 27.37 0.25 Allowed 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.515 2.143 . . . . 0.0 113.063 -179.312 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.449 ' H ' ' C ' ' A' ' 24' ' ' LEU . 13.5 mttt -146.83 15.0 1.2 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.936 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.606 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 0.0 OUTLIER -147.78 153.77 39.64 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.095 0.474 . . . . 0.0 111.527 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.49 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 4.4 tp10 -99.72 151.57 21.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.762 179.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.462 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 0.6 OUTLIER -88.7 143.05 27.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.067 0.46 . . . . 0.0 111.26 -179.359 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.491 HD13 ' HA2' ' A' ' 15' ' ' GLY . 0.4 OUTLIER -121.95 -21.92 3.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.097 -179.645 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -174.86 -179.08 45.21 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.459 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.453 ' HZ3' ' HG2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -92.43 133.72 35.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.706 0.288 . . . . 0.0 110.274 179.636 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 8.4 t -84.56 -42.29 15.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.213 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.708 ' HB3' ' HE ' ' A' ' 38' ' ' ARG . 39.9 p -106.7 -77.6 0.59 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.994 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -169.43 -33.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.154 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.9 -10.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.16 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.56 -15.47 22.79 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.835 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.708 ' HE ' ' HB3' ' A' ' 34' ' ' SER . 61.7 mtm180 -132.49 168.68 17.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.793 0.33 . . . . 0.0 111.075 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.534 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -151.02 173.0 14.83 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.561 -179.859 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 17.1 t -114.96 112.1 22.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.697 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.606 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 0.5 OUTLIER -117.65 133.15 56.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.104 0.478 . . . . 0.0 111.845 -179.571 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.499 ' HB2' HH11 ' A' ' 42' ' ' ARG . 0.0 OUTLIER -114.98 130.91 57.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.996 179.071 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -41.63 117.79 0.98 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.308 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.062 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.442 ' HB2' ' CE1' ' A' ' 9' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.005 0.431 . . . . 0.0 110.787 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.418 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 18.1 mt-30 -64.59 -3.79 3.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.007 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -81.91 -16.29 51.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.829 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.442 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -154.56 28.06 0.44 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.674 179.629 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.418 ' HB2' ' HA ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -65.53 -26.32 67.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.348 179.544 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 45.8 t -87.19 0.54 55.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.426 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -97.3 -33.07 11.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.707 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.5 m -83.66 -35.01 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.314 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -156.64 46.79 0.44 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.077 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.638 ' HA2' HD12 ' A' ' 30' ' ' ILE . . . -83.52 112.95 3.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.576 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.85 -76.78 0.24 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.446 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 -135.22 176.92 8.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.791 0.329 . . . . 0.0 110.867 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 88.2 m -131.93 138.69 48.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.712 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.85 144.06 28.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.9 t -82.52 -19.55 10.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.371 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.5 mp -125.37 -66.68 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.805 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 91.5 p -147.92 155.33 41.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -48.75 152.09 1.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.212 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.552 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 11.8 mt -92.14 137.03 25.18 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.484 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_exo -53.43 -17.54 9.4 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.742 2.294 . . . . 0.0 112.995 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.44 ' HB3' ' HZ1' ' A' ' 44' ' ' LYS . 11.9 mttt -95.1 19.69 10.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.389 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.552 ' CG ' ' HB2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -154.99 160.02 40.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.152 0.501 . . . . 0.0 111.877 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.512 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 11.6 tp10 -109.25 149.87 28.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.806 179.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.491 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 1.1 tm0? -86.65 139.88 30.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.085 0.469 . . . . 0.0 111.074 -179.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.638 HD12 ' HA2' ' A' ' 15' ' ' GLY . 0.6 OUTLIER -119.3 -23.69 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.105 -179.506 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -172.28 -164.38 27.7 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.405 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 mtmm -111.71 111.21 22.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.862 0.363 . . . . 0.0 110.999 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.9 t -65.94 -18.56 65.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.764 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.7 t -153.11 155.11 36.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.954 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.6 t -92.55 17.44 10.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.236 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -107.31 -74.42 0.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.019 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -159.13 49.97 0.4 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.478 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.484 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 22.7 mtt180 -137.79 169.88 17.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.763 0.316 . . . . 0.0 110.723 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.484 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -150.21 171.19 17.33 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.736 -179.819 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.491 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 8.7 t -111.94 117.87 33.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.927 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.539 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -119.32 144.4 46.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.014 0.435 . . . . 0.0 111.409 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.67 127.6 45.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.447 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.89 142.1 0.52 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.106 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.634 ' H ' ' HE2' ' A' ' 44' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.249 0 CA-C-O 121.274 0.559 . . . . 0.0 110.996 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 121.063 0.459 . . . . 0.0 111.068 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.54 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -130.9 -14.83 3.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.217 179.637 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.58 -4.65 57.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.188 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.413 ' CE2' ' HB2' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -153.49 16.61 0.53 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.601 -179.723 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.54 ' HB2' ' HA ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -59.05 -33.03 70.31 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.355 179.693 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.513 ' SG ' ' HA3' ' A' ' 15' ' ' GLY . 0.1 OUTLIER -87.66 -11.15 49.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.148 179.417 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -87.05 -24.87 24.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.917 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.9 m -88.11 -35.72 8.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.756 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -175.09 46.69 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.823 0.344 . . . . 0.0 111.087 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.513 ' HA3' ' SG ' ' A' ' 11' ' ' CYS . . . -72.19 -128.66 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.684 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -173.71 -99.44 0.12 Allowed Glycine 0 N--CA 1.453 -0.19 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.594 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.35 179.76 3.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.719 0.295 . . . . 0.0 110.718 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -134.24 146.18 49.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.05 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.6 154.35 21.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 38.6 t -82.68 -38.18 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.826 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.23 -63.94 0.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.85 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.61 145.25 45.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.797 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.29 172.19 0.34 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.422 ' HB2' ' HG3' ' A' ' 27' ' ' GLU . 4.5 mm? -93.27 138.93 22.9 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.529 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.89 -17.2 35.7 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.525 2.15 . . . . 0.0 112.684 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -94.16 11.64 29.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.172 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.422 ' HG3' ' HB2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -156.4 155.59 32.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.006 0.432 . . . . 0.0 111.477 -179.805 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.617 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 0.2 OUTLIER -103.42 163.43 12.28 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.106 179.243 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.61 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -88.24 134.8 33.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.999 0.428 . . . . 0.0 111.329 -179.645 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.576 HD12 ' HB3' ' A' ' 42' ' ' ARG . 0.4 OUTLIER -124.55 -19.87 3.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.457 -179.749 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -158.54 -173.44 26.95 Favored Glycine 0 N--CA 1.453 -0.178 0 C-N-CA 120.238 -0.982 . . . . 0.0 113.214 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -114.09 113.02 24.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.869 0.366 . . . . 0.0 110.491 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.2 t -62.7 -17.33 60.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.36 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.418 ' HB3' ' H ' ' A' ' 35' ' ' THR . 5.6 t -139.53 -98.18 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.99 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.418 ' H ' ' HB3' ' A' ' 34' ' ' SER . 0.1 OUTLIER -136.16 -43.07 0.64 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.845 0.355 . . . . 0.0 110.996 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -161.93 -12.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.831 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.36 -60.47 2.23 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.416 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.573 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 36.4 mtm180 -94.32 173.24 7.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.715 0.293 . . . . 0.0 110.796 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.573 ' HG3' ' C ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -150.51 173.25 14.29 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.718 -179.885 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.61 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -112.62 130.97 55.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.638 179.738 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.617 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 1.3 m -122.93 133.51 54.39 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -179.277 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.576 ' HB3' HD12 ' A' ' 30' ' ' ILE . 4.0 ppt_? -111.09 122.7 48.56 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.191 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.1 ttp85 -53.57 141.22 26.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.28 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.793 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.428 ' HB2' ' CE1' ' A' ' 9' ' ' TYR . 1.2 pp . . . . . 0 CA--C 1.527 0.081 0 CA-C-O 120.799 0.333 . . . . 0.0 111.08 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.557 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -66.08 -2.05 3.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.866 179.562 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.36 -13.28 57.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.092 0.472 . . . . 0.0 110.392 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.496 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -154.33 13.28 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.527 179.401 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.557 ' HB2' ' HA ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -60.49 -45.78 92.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.04 179.367 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -80.15 -5.11 55.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.775 178.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.496 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 5.7 ttm180 -82.98 -44.3 15.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.713 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.831 HG23 ' HG2' ' A' ' 14' ' ' ARG . 34.7 m -64.28 -30.29 49.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.91 0.386 . . . . 0.0 110.806 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.831 ' HG2' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -144.35 -71.33 0.28 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.51 179.377 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 51.23 90.2 0.01 OUTLIER Glycine 0 C--N 1.332 0.319 0 C-N-CA 121.208 -0.52 . . . . 0.0 112.806 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.09 -85.79 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.612 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -126.76 179.24 5.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.668 0.271 . . . . 0.0 110.503 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 87.0 m -134.0 139.56 46.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 111.237 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.99 172.4 6.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.773 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.457 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 15.2 t -83.41 -47.6 18.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.235 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.4 tp -135.13 -49.72 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.117 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.0 p -117.99 140.72 49.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.78 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.96 176.39 0.21 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.242 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.496 HD12 ' HD2' ' A' ' 25' ' ' PRO . 4.3 mm? -92.05 149.15 38.25 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.868 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.496 ' HD2' HD12 ' A' ' 24' ' ' LEU . 73.9 Cg_endo -75.61 27.07 0.39 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.747 2.298 . . . . 0.0 112.645 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.418 ' H ' ' C ' ' A' ' 24' ' ' LEU . 0.7 OUTLIER -142.32 2.15 1.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.445 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.44 ' CG ' ' HB2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -143.07 144.86 32.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.18 -179.816 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.601 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 7.2 pt-20 -92.64 161.77 14.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.25 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.583 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 16.9 tt0 -91.18 141.82 28.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.994 0.426 . . . . 0.0 111.672 -179.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.423 HG13 ' HB2' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -121.44 -22.08 3.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.171 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -175.18 -161.01 24.05 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.788 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -111.15 118.55 36.28 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.855 0.359 . . . . 0.0 110.364 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.9 t -70.56 -48.22 56.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.348 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.08 152.13 46.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.983 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.7 t -74.62 -15.74 60.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.174 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.9 mtt180 -64.99 -65.71 0.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.34 45.91 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.496 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.564 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 20.4 mtm-85 -116.77 179.06 4.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.737 0.303 . . . . 0.0 110.744 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.564 ' HG3' ' C ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -149.81 166.91 28.05 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.953 -179.704 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.583 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 0.2 OUTLIER -108.28 119.88 40.76 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.245 179.88 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.601 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -116.67 129.66 56.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.525 -179.869 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.423 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -115.7 130.28 56.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.415 179.482 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -50.02 133.72 22.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.392 -179.379 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.46 ' HB2' ' CE2' ' A' ' 9' ' ' TYR . 1.0 OUTLIER . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 121.102 0.477 . . . . 0.0 110.999 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -64.55 -4.74 4.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.076 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -84.17 -13.41 52.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.235 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.46 ' CE2' ' HB2' ' A' ' 6' ' ' LEU . 4.8 p90 -155.14 29.86 0.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.939 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.426 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -71.29 -35.0 71.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.503 179.68 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.7 ' HA ' ' HA3' ' A' ' 15' ' ' GLY . 5.8 t -81.63 7.24 12.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.433 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.486 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -107.57 -24.25 11.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.708 -179.719 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.431 HG22 ' HG2' ' A' ' 14' ' ' ARG . 27.9 m -91.29 -33.94 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.764 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.431 ' HG2' HG22 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -169.43 33.66 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.819 0.343 . . . . 0.0 110.899 -179.764 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.7 ' HA3' ' HA ' ' A' ' 11' ' ' CYS . . . -72.63 139.79 28.15 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.774 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.83 -100.64 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.534 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' A' ' 17' ' ' ARG . 4.7 ptp180 -105.46 172.06 6.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.814 0.34 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.9 m -133.52 136.61 45.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.077 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -103.46 167.07 10.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.7 t -84.13 -42.76 17.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.342 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.1 -80.34 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.744 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 40.6 t -104.53 150.8 24.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.74 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.21 175.72 0.69 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.54 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 3.6 mm? -93.73 148.26 35.05 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.423 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -68.52 -15.43 41.57 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.445 2.096 . . . . 0.0 113.009 -179.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.457 ' O ' ' HD3' ' A' ' 44' ' ' LYS . 0.6 OUTLIER -94.61 1.25 55.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.66 0.267 . . . . 0.0 111.313 -179.711 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.58 ' HB3' ' N ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -142.42 146.86 35.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.057 0.456 . . . . 0.0 111.667 -179.79 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.528 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 2.1 pt-20 -92.07 162.11 14.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.157 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.623 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 1.9 tt0 -91.46 136.06 33.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.923 0.392 . . . . 0.0 111.013 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -119.81 -15.2 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.317 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -179.74 -156.06 16.82 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.726 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.7 mttp -125.35 104.38 8.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.857 0.36 . . . . 0.0 110.634 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.3 t -52.84 -63.29 1.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.359 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.0 t -102.38 163.0 12.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.8 p -97.66 -0.41 45.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.4 mmm-85 -77.61 -41.85 37.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.963 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 156.59 49.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.326 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.565 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 11.2 mtt180 -124.67 -174.49 3.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.88 0.371 . . . . 0.0 111.03 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.565 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -149.35 164.96 33.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.921 -179.781 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.623 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 6.5 t -109.28 131.42 55.08 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.058 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.528 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 1.5 m -118.76 145.14 45.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.454 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.418 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -128.29 108.5 10.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.377 179.76 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.58 ' N ' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -52.97 137.43 32.74 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.236 -179.403 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.528 ' HE3' ' HB3' ' A' ' 28' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.203 0 CA-C-O 121.183 0.516 . . . . 0.0 110.93 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.44 ' HB2' ' CE1' ' A' ' 9' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.002 0.429 . . . . 0.0 111.01 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -66.08 -0.54 2.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.69 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.422 ' H ' ' C ' ' A' ' 6' ' ' LEU . 12.2 mptt -82.2 -25.0 34.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.328 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.44 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 1.4 p90 -150.65 34.67 0.62 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.349 -0.842 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.76 -19.88 61.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.364 179.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.705 ' HA ' ' HA3' ' A' ' 15' ' ' GLY . 0.1 OUTLIER -91.95 0.54 57.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.569 179.686 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.08 -13.22 15.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.67 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.5 m -100.8 -37.54 5.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.31 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -164.35 30.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.705 ' HA3' ' HA ' ' A' ' 11' ' ' CYS . . . -72.24 132.3 18.58 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.53 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.39 -91.66 0.23 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.58 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -122.13 -174.95 3.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.734 0.302 . . . . 0.0 110.722 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 74.9 m -132.43 142.58 49.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.34 154.27 18.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.2 t -83.07 -36.55 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.419 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -130.98 -62.67 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.62 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.487 ' HA ' ' HZ2' ' A' ' 39' ' ' LYS . 63.3 p -122.84 147.85 46.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.476 179.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -55.32 171.45 0.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.232 -179.699 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.461 HD22 ' N ' ' A' ' 24' ' ' LEU . 4.3 mm? -90.0 146.46 35.15 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.692 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 24' ' ' LEU . 11.8 Cg_exo -71.34 25.28 0.23 Allowed 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.947 2.431 . . . . 0.0 112.995 -179.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.452 ' H ' ' C ' ' A' ' 24' ' ' LEU . 11.9 mmtt -144.82 9.15 1.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.755 0.312 . . . . 0.0 110.944 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.412 ' CG ' ' HB2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -147.72 142.4 26.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.219 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.564 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 17.1 tp10 -89.69 158.37 17.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.253 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.607 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 1.6 tm0? -88.71 137.96 31.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.926 0.393 . . . . 0.0 111.018 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -117.42 -25.54 2.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.124 -179.629 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -175.65 -171.8 39.89 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.589 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -99.97 111.77 24.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.339 . . . . 0.0 110.745 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.7 t -57.93 -39.15 77.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.126 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -111.59 -163.84 0.88 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.917 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 p -71.29 -47.29 57.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.122 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -166.48 138.17 3.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.98 -44.76 1.42 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.662 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.0 mtm-85 -97.56 -178.65 4.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.844 0.354 . . . . 0.0 111.122 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.487 ' HZ2' ' HA ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -154.48 173.06 16.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.22 -179.724 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.607 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 1.5 m -116.11 125.13 51.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.662 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.507 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 1.5 m -118.5 134.86 54.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.965 0.412 . . . . 0.0 111.579 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.71 129.84 52.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.246 179.38 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.03 133.33 3.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.53 -179.304 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.987 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.658 HD12 ' HA ' ' A' ' 10' ' ' TYR . 0.9 OUTLIER . . . . . 0 CA--C 1.526 0.056 0 CA-C-O 120.958 0.408 . . . . 0.0 111.09 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.584 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -138.81 -16.81 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.321 179.678 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.3 mmtt -81.78 -3.37 53.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.743 179.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.441 ' CE2' ' HB2' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -152.73 21.42 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.24 179.556 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.658 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -63.2 -35.47 80.43 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.129 179.484 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.3 t -85.24 0.95 50.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.247 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -94.88 -38.42 10.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.805 HG23 ' HG2' ' A' ' 14' ' ' ARG . 10.4 m -73.36 -25.5 21.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.053 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.805 ' HG2' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -160.98 -63.84 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.449 179.732 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.668 ' HA2' HD11 ' A' ' 30' ' ' ILE . . . 53.67 -145.53 23.81 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 121.007 -0.616 . . . . 0.0 113.079 179.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -173.69 -93.0 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 121.091 -0.576 . . . . 0.0 112.256 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -123.47 173.11 8.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.755 0.312 . . . . 0.0 110.689 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.8 m -130.43 135.63 48.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.982 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -103.39 167.07 10.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.106 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 36.8 t -83.2 -46.89 18.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.065 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.411 ' O ' ' HD2' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -120.77 -78.23 0.59 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.562 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.5 ' HA ' ' HZ1' ' A' ' 39' ' ' LYS . 26.3 t -104.11 153.83 20.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.509 179.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.21 174.82 0.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.436 ' HB2' ' HG3' ' A' ' 27' ' ' GLU . 3.2 mm? -90.32 136.97 27.89 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.729 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.68 -21.48 32.03 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.784 2.323 . . . . 0.0 113.15 -179.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.1 mtmm -93.28 13.95 19.78 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.757 0.313 . . . . 0.0 111.298 -179.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.579 ' HB3' ' HA ' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -156.2 166.66 32.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.147 0.499 . . . . 0.0 111.698 -179.858 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.528 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 1.5 pt-20 -113.52 165.38 12.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.802 179.208 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.582 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 6.5 tt0 -88.45 137.04 32.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.082 0.467 . . . . 0.0 111.157 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.668 HD11 ' HA2' ' A' ' 15' ' ' GLY . 0.2 OUTLIER -119.82 -21.87 4.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.026 -179.486 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -167.15 -148.98 5.82 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.572 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.567 ' HA ' ' HA ' ' A' ' 39' ' ' LYS . 1.6 ptmm? -136.26 105.35 5.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.823 0.344 . . . . 0.0 110.836 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.6 t -61.51 -33.2 73.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.941 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -144.21 143.87 31.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.7 p -91.5 11.46 23.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.081 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -92.14 -13.19 31.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.776 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.73 44.29 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.427 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.595 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 21.1 mtt180 -138.82 175.65 9.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.666 0.27 . . . . 0.0 110.874 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.595 ' HG3' ' C ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -150.94 169.91 20.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.799 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.582 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 1.3 m -106.96 134.97 49.31 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.089 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.528 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 8.5 m -113.69 155.64 25.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.116 0.484 . . . . 0.0 111.677 -179.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.46 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 11.0 tpp180 -132.25 104.67 6.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.841 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.579 ' HA ' ' HB3' ' A' ' 27' ' ' GLU . 8.3 ttp180 -56.73 142.71 39.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.673 -178.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.472 ' HE2' ' HG2' ' A' ' 28' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.908 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.46 ' HB2' ' CE1' ' A' ' 9' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 121.107 0.48 . . . . 0.0 110.631 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -64.33 -4.42 3.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.066 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.28 -14.99 54.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.86 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.46 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 2.2 p90 -157.19 29.65 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.06 179.566 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.95 -40.64 83.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.588 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.5 t -80.26 2.04 26.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.997 179.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' ' 12' ' ' ARG . 5.6 ttt-85 -96.14 -45.43 6.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.648 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.7 m -57.47 -29.15 32.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 121.041 0.448 . . . . 0.0 110.647 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.24 -67.68 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.172 179.157 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.06 101.88 0.01 OUTLIER Glycine 0 C--N 1.331 0.3 0 C-N-CA 121.161 -0.542 . . . . 0.0 113.0 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.3 -83.35 0.15 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.581 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' ' 17' ' ' ARG . 1.3 ptm85 -136.29 166.63 22.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.792 0.33 . . . . 0.0 110.85 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 68.8 m -114.21 134.85 54.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.659 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.8 159.61 14.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.945 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.423 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 22.7 t -83.56 -48.98 16.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.405 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 tp -118.78 -54.47 2.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.962 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.499 ' HA ' ' HZ3' ' A' ' 39' ' ' LYS . 0.9 OUTLIER -132.38 150.03 52.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.808 179.884 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -57.41 172.57 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.272 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.471 HD11 ' HD2' ' A' ' 25' ' ' PRO . 2.7 mm? -93.37 140.73 23.3 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.643 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.471 ' HD2' HD11 ' A' ' 24' ' ' LEU . 21.0 Cg_endo -60.84 -17.73 52.31 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.688 2.258 . . . . 0.0 112.74 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.447 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 8.4 mttt -95.8 13.95 24.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.52 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.452 ' HB3' ' C ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -154.02 146.34 23.89 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.828 0.347 . . . . 0.0 111.39 179.885 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.53 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 4.1 pt-20 -95.71 159.67 14.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.871 179.173 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.499 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 13.4 tt0 -88.97 141.18 28.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.035 0.445 . . . . 0.0 111.375 -179.512 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.32 -21.24 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.117 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -169.64 -155.67 10.22 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.541 -0.838 . . . . 0.0 112.997 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.6 mttp -114.6 102.6 10.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.882 0.373 . . . . 0.0 110.338 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.431 ' HB2' ' O ' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -63.91 -8.67 11.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.347 -179.616 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.2 t -138.86 -96.22 0.17 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.167 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -137.88 -63.42 0.57 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.02 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.6 ttp-105 -150.03 -20.76 0.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.946 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.51 -37.51 17.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.46 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.566 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 3.5 mtt180 -109.09 173.92 6.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.639 0.256 . . . . 0.0 110.669 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.566 ' HG3' ' C ' ' A' ' 38' ' ' ARG . 1.4 mptt -150.44 169.39 21.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.899 0.38 . . . . 0.0 110.932 -179.559 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.499 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 11.5 t -106.52 123.05 47.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.638 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.53 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -120.6 136.82 54.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.905 0.383 . . . . 0.0 111.741 -179.26 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.452 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -112.42 122.79 48.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.312 179.353 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -50.2 146.48 5.0 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.48 -179.273 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.11 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.467 ' HB2' ' CE1' ' A' ' 9' ' ' TYR . 1.2 pp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.988 0.423 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -65.04 -2.55 2.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.023 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -83.73 -14.7 51.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.467 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 0.4 OUTLIER -154.89 25.31 0.44 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.209 179.764 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.52 -24.94 66.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.993 0.425 . . . . 0.0 110.388 179.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.0 t -88.69 -1.2 57.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.582 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.8 mmm-85 -98.49 -24.28 15.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.761 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.64 HG23 ' HG3' ' A' ' 14' ' ' ARG . 16.0 m -86.45 -29.71 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.338 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.64 ' HG3' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -166.88 42.12 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.874 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.6 133.8 25.7 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.719 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.01 -101.05 0.92 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.569 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.0 ptm85 -106.77 -174.84 2.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.737 0.303 . . . . 0.0 110.952 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.7 m -137.22 133.79 35.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.065 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.68 164.34 11.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.511 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 9.5 t -83.4 -49.16 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.378 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.53 -40.36 0.8 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.626 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.88 138.56 51.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.727 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.67 171.06 1.23 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.979 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.425 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 55.6 mt -90.21 147.61 37.33 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.931 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.64 -14.7 46.04 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.576 2.184 . . . . 0.0 112.613 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -94.24 1.32 56.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.344 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.452 ' HG3' ' HB2' ' A' ' 41' ' ' CYS . 0.0 OUTLIER -147.22 143.53 28.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.031 0.443 . . . . 0.0 111.675 -179.577 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.598 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 0.0 OUTLIER -93.01 165.14 13.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.215 179.368 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.588 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 0.8 OUTLIER -90.05 137.07 32.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.003 0.43 . . . . 0.0 111.301 -179.643 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.549 HD12 ' HB3' ' A' ' 42' ' ' ARG . 0.3 OUTLIER -121.51 -21.32 3.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.125 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -168.08 -159.03 12.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.774 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -117.92 116.83 27.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.815 0.341 . . . . 0.0 110.793 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 46.5 t -71.23 -6.7 41.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.786 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.7 t -156.88 174.56 15.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.786 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -57.4 -38.93 75.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.087 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -171.6 145.34 2.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.922 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 107.57 -35.33 5.07 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.913 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.565 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 17.1 mtt180 -117.67 172.56 7.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.902 0.382 . . . . 0.0 111.239 -179.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.565 ' HG3' ' C ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -150.04 171.97 15.99 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.512 -179.868 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.588 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 26.0 m -109.36 123.83 49.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.864 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.598 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -115.8 131.89 56.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.709 -179.421 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.549 ' HB3' HD12 ' A' ' 30' ' ' ILE . 0.4 OUTLIER -117.18 126.28 52.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.185 179.22 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.88 134.23 25.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.34 -179.24 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.494 HD12 ' O ' ' A' ' 6' ' ' LEU . 1.5 pp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.06 0.457 . . . . 0.0 110.775 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -65.4 0.55 1.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.808 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.443 ' H ' ' C ' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -82.18 -14.12 56.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 -179.872 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -154.75 22.48 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.304 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.43 -51.13 60.13 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.162 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.7 t -71.89 -15.48 62.11 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 178.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -87.47 -22.85 24.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.824 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -81.84 -22.81 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.683 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -156.03 -60.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.496 179.474 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.78 88.51 0.01 OUTLIER Glycine 0 C--N 1.332 0.316 0 CA-C-N 116.035 -0.53 . . . . 0.0 113.091 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.26 -91.68 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.011 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.51 163.36 15.87 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 179.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.7 m -132.39 134.24 44.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.878 0.371 . . . . 0.0 111.303 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.489 ' O ' ' HG2' ' A' ' 38' ' ' ARG . . . -101.44 155.67 17.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.566 179.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.433 ' O ' HG12 ' A' ' 20' ' ' VAL . 22.5 t -82.47 -22.71 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.36 -179.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.27 -86.81 0.54 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.016 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.9 t -110.52 153.11 25.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.808 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -61.86 168.36 3.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.473 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 31.9 mt -91.07 146.58 33.9 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.972 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -66.84 -11.66 32.94 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.431 2.088 . . . . 0.0 112.308 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.79 0.3 54.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.048 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.473 ' CG ' ' HB2' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -146.7 150.08 34.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.102 0.477 . . . . 0.0 111.615 -179.795 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.552 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 2.7 pt-20 -96.97 164.34 12.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.168 179.405 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.52 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -89.07 139.39 30.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.058 0.456 . . . . 0.0 111.216 -179.531 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -118.67 -20.18 5.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.128 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 175.79 154.1 11.11 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.46 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -67.51 123.93 21.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.849 0.357 . . . . 0.0 110.78 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.6 t -71.35 -30.51 66.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.943 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.5 m -154.62 174.64 14.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.9 p -96.64 -7.8 33.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.195 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.7 mtm180 -74.84 -44.11 50.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 155.33 47.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.502 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.568 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 5.1 mtt180 -125.93 171.38 10.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.663 0.268 . . . . 0.0 110.815 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.568 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 0.2 OUTLIER -150.82 163.38 38.77 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.904 0.383 . . . . 0.0 111.063 -179.708 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.52 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 57.0 m -108.25 127.2 53.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.79 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.552 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.5 OUTLIER -117.6 137.59 52.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.047 0.451 . . . . 0.0 111.826 -179.506 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -117.46 118.59 32.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.032 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.416 ' N ' ' HB3' ' A' ' 27' ' ' GLU . 9.4 mtp180 -52.05 141.79 17.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.313 -179.29 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.2 mmtp . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.214 -179.779 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.484 ' HB2' ' CE1' ' A' ' 9' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.955 0.407 . . . . 0.0 110.933 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.545 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 6.5 mt-30 -65.58 -2.29 3.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.85 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.93 -14.44 57.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.006 0.431 . . . . 0.0 110.446 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.492 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -155.21 15.09 0.4 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.462 179.213 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.545 ' HB2' ' HA ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -63.92 -32.03 73.42 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.431 ' O ' ' HA3' ' A' ' 15' ' ' GLY . 0.0 OUTLIER -91.21 15.27 12.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.803 179.132 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.492 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -110.42 -28.1 8.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.489 -179.854 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.4 m -84.45 -28.03 6.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.438 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -156.4 12.77 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.935 0.398 . . . . 0.0 110.438 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.431 ' HA3' ' O ' ' A' ' 11' ' ' CYS . . . -73.04 146.25 37.71 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.671 -179.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.42 -75.47 1.1 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.959 -0.639 . . . . 0.0 112.643 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -133.69 -171.5 2.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.853 0.359 . . . . 0.0 111.041 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 m -132.73 143.78 49.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.969 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.473 ' HB3' HD21 ' A' ' 24' ' ' LEU . . . -102.63 167.06 10.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.021 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.418 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -83.93 -45.86 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.44 -179.688 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.435 ' HA ' ' O ' ' A' ' 37' ' ' GLY . 0.1 OUTLIER -127.13 -60.54 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.784 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.88 154.95 35.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.829 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.465 ' SG ' ' HG3' ' A' ' 29' ' ' GLN . 0.5 OUTLIER -52.83 166.12 0.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.927 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.564 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 3.0 mm? -91.05 148.55 38.21 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.579 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.448 ' C ' ' HG2' ' A' ' 26' ' ' LYS . 13.4 Cg_exo -70.57 22.47 0.2 Allowed 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.92 2.414 . . . . 0.0 113.003 -179.322 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.457 ' H ' ' C ' ' A' ' 24' ' ' LEU . 3.7 mttm -144.01 19.8 1.78 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.644 0.259 . . . . 0.0 111.114 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.576 ' HA ' ' HG3' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -153.25 160.06 42.7 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.951 0.405 . . . . 0.0 111.807 -179.874 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.586 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 5.0 pt-20 -106.44 153.77 21.78 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.768 179.091 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.547 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -88.67 137.98 31.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.141 0.496 . . . . 0.0 111.558 -179.164 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -123.86 -22.1 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.958 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -162.46 -162.25 13.23 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.748 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -125.17 108.38 11.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.805 0.336 . . . . 0.0 110.716 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 t -60.36 -23.01 63.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.095 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 p -139.6 166.65 24.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.6 p -59.82 -40.25 87.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.08 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -167.28 103.26 0.53 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.435 ' O ' ' HA ' ' A' ' 21' ' ' LEU . . . 149.63 -34.12 1.06 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.43 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.539 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 10.3 mtm180 -123.49 172.7 8.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.718 0.294 . . . . 0.0 110.777 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.539 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 3.1 mptp? -150.91 173.07 14.7 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.766 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.547 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 57.2 m -110.46 112.22 24.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.097 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.586 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -120.59 131.55 54.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.961 0.41 . . . . 0.0 111.4 179.73 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.447 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -111.74 129.83 55.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.482 179.509 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.84 136.27 22.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.376 -179.386 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.576 ' HG3' ' HA ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.901 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.482 ' HB2' ' CE1' ' A' ' 9' ' ' TYR . 1.1 pp . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.985 0.421 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.411 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 4.4 mt-30 -65.61 -1.0 2.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.657 179.362 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.417 ' H ' ' C ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -81.06 -15.32 56.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.643 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.494 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -155.2 17.38 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.977 179.748 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.411 ' HB2' ' HA ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -66.08 -28.7 69.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.114 0.483 . . . . 0.0 109.745 179.254 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.538 ' O ' ' HA3' ' A' ' 15' ' ' GLY . 57.5 m -87.04 8.38 23.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.936 179.041 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' A' ' 9' ' ' TYR . 6.6 mmm180 -103.26 -27.37 12.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.346 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.461 HG22 ' N ' ' A' ' 14' ' ' ARG . 30.3 m -94.66 -30.43 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.25 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.461 ' N ' HG22 ' A' ' 13' ' ' VAL . 1.9 mtt-85 -144.97 26.02 1.39 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.538 ' HA3' ' O ' ' A' ' 11' ' ' CYS . . . -71.13 108.92 2.64 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.681 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.71 -82.27 0.37 Allowed Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.225 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -130.57 174.06 10.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.794 0.331 . . . . 0.0 110.787 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 97.5 m -131.11 142.83 50.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.974 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.22 158.51 15.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.4 t -83.55 -48.15 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.491 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -111.77 -55.3 2.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.123 -179.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.556 ' HA ' ' HZ2' ' A' ' 39' ' ' LYS . 1.6 p -142.48 150.64 40.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.17 163.65 1.53 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.014 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.515 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 9.2 mt -93.21 141.19 23.7 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.046 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -60.53 -16.23 41.2 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.652 2.234 . . . . 0.0 112.553 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.3 mmtt -91.86 6.91 44.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.984 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.515 ' CG ' ' HB2' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -149.86 143.82 25.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.845 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.551 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 11.0 pt-20 -94.19 157.18 16.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.364 179.541 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.551 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 5.0 tt0 -89.47 140.64 29.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.04 0.448 . . . . 0.0 111.143 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -120.43 -22.4 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.14 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -166.6 -159.16 11.9 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.795 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -120.52 114.83 22.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 110.702 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.1 t -68.06 -9.04 43.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.944 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.439 ' OG ' ' HB2' ' A' ' 38' ' ' ARG . 0.1 OUTLIER -163.84 -83.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.73 179.85 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.7 p -133.12 -159.27 0.95 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 36' ' ' ARG . 12.0 ptt-85 -61.96 -20.66 64.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.024 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.77 -69.97 1.27 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.788 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.589 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 12.8 mtt85 -89.3 162.91 15.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.841 0.353 . . . . 0.0 111.084 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.589 ' HG3' ' C ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -151.17 175.52 12.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.695 -179.908 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.551 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 1.8 m -107.73 121.2 44.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.27 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.551 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -115.88 141.23 48.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.258 -179.91 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.1 ppt_? -120.84 125.21 46.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.342 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -54.31 133.44 45.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.244 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.698 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.434 ' HB2' ' CE1' ' A' ' 9' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.943 0.401 . . . . 0.0 111.027 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -64.74 -3.3 3.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.2 mmtm -82.53 -17.45 44.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.782 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.434 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 5.6 p90 -156.19 32.93 0.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.954 179.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.58 -36.8 68.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.717 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.436 ' O ' ' HA3' ' A' ' 15' ' ' GLY . 15.0 t -80.82 15.87 1.63 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.436 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -114.28 -38.65 4.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.726 179.834 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.5 m -81.76 -29.48 10.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.166 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.8 mtt85 -144.65 19.81 1.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.436 ' HA3' ' O ' ' A' ' 11' ' ' CYS . . . -62.16 126.07 37.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.537 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -104.29 -79.68 1.34 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.513 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' A' ' 17' ' ' ARG . 3.7 ptp180 -133.02 175.96 8.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.806 0.336 . . . . 0.0 111.09 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 68.9 m -128.36 145.02 51.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.758 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.12 176.34 5.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.224 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.3 t -84.95 -49.43 15.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.467 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.8 tt -130.76 -51.94 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.81 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -123.18 154.0 39.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.762 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.43 ' H ' ' HZ2' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -53.84 169.25 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.327 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.533 ' N ' HD21 ' A' ' 24' ' ' LEU . 4.5 mm? -89.2 152.36 47.83 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.588 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -73.56 23.66 0.33 Allowed 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.66 2.24 . . . . 0.0 113.114 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.411 ' H ' ' C ' ' A' ' 24' ' ' LEU . 1.8 mtpt -146.91 22.26 1.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.939 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.474 ' HA ' ' HD3' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -157.81 162.7 38.46 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.075 0.464 . . . . 0.0 111.801 -179.648 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.545 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 0.0 OUTLIER -110.75 158.94 18.09 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.818 178.867 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.462 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -88.59 140.99 28.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.062 0.458 . . . . 0.0 111.519 -179.364 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.28 -25.62 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.652 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.451 ' O ' ' HB2' ' A' ' 40' ' ' CYS . . . 169.94 158.91 14.57 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.537 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.18 132.45 53.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.805 0.336 . . . . 0.0 110.59 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 54.0 t -83.09 -39.67 20.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.389 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.6 m -138.28 -87.64 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.036 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.0 p -108.15 -160.94 0.75 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.16 18.34 1.41 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -113.35 -35.78 1.56 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.513 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.593 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 9.6 mtm-85 -110.33 166.12 11.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.712 0.291 . . . . 0.0 110.807 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.593 ' HG3' ' C ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -149.8 173.19 14.01 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.854 -179.791 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 19.1 m -107.46 120.22 41.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.396 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.545 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -116.78 135.65 53.58 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.087 0.47 . . . . 0.0 111.175 179.258 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.404 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 0.6 OUTLIER -110.56 116.15 30.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.453 -179.83 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.45 ' HA ' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -47.77 144.78 3.16 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.952 0.406 . . . . 0.0 111.397 -179.495 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.474 ' HD3' ' HA ' ' A' ' 27' ' ' GLU . 11.9 mmtt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.885 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.434 HD13 ' O ' ' A' ' 6' ' ' LEU . 1.1 pp . . . . . 0 CA--C 1.527 0.093 0 CA-C-O 121.017 0.436 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -66.17 -3.29 5.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.108 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.36 -12.69 54.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.386 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.42 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -155.48 21.36 0.41 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.335 179.828 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.471 ' O ' HG21 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -59.63 -49.52 77.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.836 0.35 . . . . 0.0 110.601 179.609 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.8 t -81.85 3.01 27.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.108 0.48 . . . . 0.0 110.226 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.4 ttm-85 -93.33 -34.56 13.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.784 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.471 HG21 ' O ' ' A' ' 10' ' ' TYR . 30.0 m -73.82 -31.83 32.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.157 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.521 ' HG3' ' H ' ' A' ' 15' ' ' GLY . 0.0 OUTLIER -161.81 -62.02 0.05 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.822 179.662 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.521 ' H ' ' HG3' ' A' ' 14' ' ' ARG . . . 56.7 -137.29 48.66 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.516 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -167.82 -100.73 0.14 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.337 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.16 151.02 36.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.707 0.289 . . . . 0.0 110.563 179.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 57.4 m -108.11 137.65 45.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.013 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.35 153.87 18.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.768 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 37.8 t -82.51 -33.89 11.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.266 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -128.46 -62.52 1.03 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.69 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.9 146.69 51.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.478 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.441 ' H ' ' HZ1' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -56.41 173.7 0.17 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.084 -179.745 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.426 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 4.5 mm? -91.87 145.82 31.76 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.856 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -66.58 -14.74 45.23 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.618 2.212 . . . . 0.0 112.652 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.98 -2.02 53.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.188 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.426 ' CG ' ' HB2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -138.04 146.08 42.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.117 0.484 . . . . 0.0 111.573 -179.737 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 15.7 tp10 -91.84 156.93 17.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.186 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.575 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 2.6 tt0 -89.0 133.88 34.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.004 0.43 . . . . 0.0 110.934 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.44 HD13 ' HB2' ' A' ' 42' ' ' ARG . 0.4 OUTLIER -118.55 -19.41 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.603 -179.321 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -169.18 -161.98 20.54 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.472 -0.87 . . . . 0.0 113.053 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -115.94 93.79 4.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.889 0.376 . . . . 0.0 110.311 179.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -47.26 -35.05 7.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.374 -179.67 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.426 ' HB2' ' HB2' ' A' ' 38' ' ' ARG . 62.2 m -124.05 -169.95 2.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.843 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 76.3 p -64.68 -75.87 0.08 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.406 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -136.16 131.67 34.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.734 0.302 . . . . 0.0 110.691 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 117.95 -58.81 0.5 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.49 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.538 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 0.4 OUTLIER -84.57 170.1 13.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.753 0.311 . . . . 0.0 110.89 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.538 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -150.31 174.08 13.25 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -179.871 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.575 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 9.1 t -108.44 125.69 52.04 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.916 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.425 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 0.8 OUTLIER -113.47 143.03 45.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.244 -179.695 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.44 ' HB2' HD13 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -128.76 122.76 31.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.146 179.862 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -48.46 128.72 15.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.18 -179.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.0 mttm . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.129 -179.768 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.469 HD11 ' HA ' ' A' ' 10' ' ' TYR . 0.6 OUTLIER . . . . . 0 CA--C 1.527 0.063 0 CA-C-O 120.952 0.406 . . . . 0.0 110.966 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.49 ' H ' ' HG3' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -66.33 -7.82 21.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.748 179.877 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.07 -19.13 40.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.798 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.419 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -154.86 31.64 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.772 179.667 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.469 ' HA ' HD11 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -66.58 -46.08 77.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.554 179.752 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 p -83.61 13.15 4.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.43 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.41 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -107.02 -28.21 10.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.691 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.489 HG21 ' HG2' ' A' ' 14' ' ' ARG . 28.8 m -85.91 -21.05 7.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.487 -179.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.489 ' HG2' HG21 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -172.57 33.11 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.885 0.374 . . . . 0.0 110.755 -179.781 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.18 -151.62 1.3 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.797 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -143.05 -89.56 0.11 Allowed Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.581 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.03 162.74 26.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.778 0.323 . . . . 0.0 110.822 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.8 m -117.06 139.35 50.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -99.34 168.73 9.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.95 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.1 t -82.98 -44.36 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.402 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.7 mt -126.42 -77.94 0.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.0 p -102.59 157.49 16.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.647 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.18 170.33 0.34 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.266 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.512 ' HB2' ' HG3' ' A' ' 27' ' ' GLU . 4.1 mm? -88.11 148.83 43.91 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.352 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -71.25 23.57 0.22 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.022 2.481 . . . . 0.0 113.395 -178.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.43 ' H ' ' C ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -147.13 16.29 1.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.637 0.256 . . . . 0.0 111.134 179.713 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.512 ' HG3' ' HB2' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -151.79 162.22 41.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.158 0.504 . . . . 0.0 111.806 -179.811 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.571 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 8.9 tp10 -107.55 160.53 15.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.677 179.277 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.531 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 0.9 OUTLIER -87.71 134.93 33.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.054 0.454 . . . . 0.0 110.999 -179.648 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.469 HD13 ' HB3' ' A' ' 42' ' ' ARG . 0.4 OUTLIER -120.27 -22.21 3.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.376 -179.405 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -166.36 -162.5 17.98 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.967 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.85 106.45 9.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.88 0.372 . . . . 0.0 110.602 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -57.01 -24.65 55.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.968 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.423 ' HG ' ' HB2' ' A' ' 38' ' ' ARG . 2.3 m -125.08 176.86 6.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.525 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.48 -44.65 82.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.137 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.6 ptm85 -165.25 107.8 0.82 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.784 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 150.68 -54.94 0.47 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.18 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.535 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 21.7 mtm180 -97.41 177.42 5.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.595 0.236 . . . . 0.0 110.559 179.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.535 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -150.08 170.18 19.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.888 0.375 . . . . 0.0 110.858 -179.853 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.531 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 1.6 m -113.22 124.81 53.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.544 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.571 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 2.7 m -122.11 128.25 51.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.029 0.442 . . . . 0.0 111.944 -179.45 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.469 ' HB3' HD13 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -111.68 131.25 55.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.753 178.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -44.39 120.1 2.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.947 0.403 . . . . 0.0 111.544 -179.094 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.787 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.419 ' H ' HG22 ' A' ' 2' ' ' ILE . 0.7 OUTLIER -94.77 137.24 23.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.845 0.355 . . . . 0.0 111.048 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.1 tt -95.41 141.12 15.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.012 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -136.59 -9.31 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.023 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.04 143.15 27.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.411 HD12 ' O ' ' A' ' 6' ' ' LEU . 1.2 pp -161.8 42.76 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.814 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.49 ' H ' ' HG3' ' A' ' 7' ' ' GLN . 2.9 mt-30 -64.84 -2.91 2.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.975 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.06 -15.85 52.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -154.78 21.4 0.45 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.95 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -61.95 -31.23 71.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.021 0.439 . . . . 0.0 110.242 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.9 t -93.57 -8.2 41.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.137 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.444 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 1.8 tpp85 -94.74 -20.25 19.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.596 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.1 m -88.28 -32.07 5.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.548 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.78 36.19 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.896 0.379 . . . . 0.0 110.776 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.28 -146.55 0.15 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.732 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -149.25 -97.78 0.18 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.611 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.425 HH22 HH21 ' A' ' 43' ' ' ARG . 1.8 ptp180 -110.35 174.5 5.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.816 0.341 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.8 m -129.84 139.36 51.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.081 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.518 ' O ' ' HG2' ' A' ' 38' ' ' ARG . . . -100.09 158.69 15.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.529 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.0 t -82.59 -38.52 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.309 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.62 -68.27 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.733 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.5 p -112.81 148.89 33.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.343 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.77 173.93 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.104 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.467 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 4.6 mm? -92.11 140.84 24.67 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.552 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -60.26 -19.33 57.03 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.698 2.265 . . . . 0.0 112.957 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -93.23 7.58 43.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.543 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.467 ' CG ' ' HB2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -150.15 153.95 37.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.057 0.456 . . . . 0.0 111.864 -179.762 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.698 ' HB3' ' HZ1' ' A' ' 44' ' ' LYS . 7.3 pt-20 -100.19 164.41 11.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.035 179.306 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.612 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 1.6 tt0 -91.16 137.79 32.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.011 0.434 . . . . 0.0 111.078 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.459 HD12 ' SG ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -119.22 -22.38 3.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.385 -179.564 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 179.06 -177.54 48.49 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.431 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -83.56 130.16 34.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.788 0.328 . . . . 0.0 110.591 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -97.48 9.78 41.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.313 -179.571 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.415 ' HB3' ' H ' ' A' ' 35' ' ' THR . 5.0 t -151.78 -97.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.833 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.415 ' H ' ' HB3' ' A' ' 34' ' ' SER . 1.4 t -171.59 -27.51 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.623 0.249 . . . . 0.0 111.46 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -166.73 108.56 0.69 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.526 -179.865 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.12 -6.94 40.32 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 120.765 -0.731 . . . . 0.0 113.467 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.581 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 47.0 mtp180 -129.39 164.56 23.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.892 0.377 . . . . 0.0 111.445 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.581 ' HG3' ' C ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -150.73 174.97 12.42 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.52 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.612 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 49.8 t -112.45 136.25 52.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.206 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.543 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 1.7 m -123.72 140.38 53.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.43 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.62 120.22 31.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.294 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.425 HH21 HH22 ' A' ' 17' ' ' ARG . 0.2 OUTLIER -50.24 133.12 24.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.449 -179.213 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.698 ' HZ1' ' HB3' ' A' ' 28' ' ' GLU . 0.6 OUTLIER -67.02 136.71 55.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.828 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.2 mptt . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.201 -0.904 . . . . 0.0 111.007 -179.846 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.19 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.407 ' O ' HG22 ' A' ' 2' ' ' ILE . 4.7 tt -121.25 128.72 76.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 111.063 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -114.51 113.97 45.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -106.5 46.28 0.93 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.87 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.86 142.58 34.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.1 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.422 HD12 ' O ' ' A' ' 6' ' ' LEU . 1.1 pp -109.67 43.46 1.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.03 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -64.39 -4.41 3.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -82.39 -14.94 54.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.423 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.407 ' CZ ' ' HB2' ' A' ' 6' ' ' LEU . 19.4 p90 -155.92 28.32 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.433 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -73.2 -35.74 66.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.954 0.407 . . . . 0.0 110.303 179.471 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.563 ' SG ' ' HA3' ' A' ' 15' ' ' GLY . 44.2 t -81.99 -4.14 56.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.344 0.593 . . . . 0.0 109.811 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.92 -30.76 16.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.714 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 10' ' ' TYR . 28.1 m -84.91 -29.36 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.333 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.5 ptt180 -168.5 52.86 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.925 0.393 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.563 ' HA3' ' SG ' ' A' ' 11' ' ' CYS . . . -86.2 122.87 6.21 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.733 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.74 -82.41 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.113 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -131.78 160.47 35.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.657 0.265 . . . . 0.0 110.401 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.3 m -122.25 135.5 54.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.212 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.492 ' O ' ' HG2' ' A' ' 38' ' ' ARG . . . -99.75 154.4 18.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.551 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.2 t -83.12 -27.71 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.657 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.64 -80.18 0.59 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.87 0.367 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.7 m -131.11 163.55 27.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.825 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -48.45 162.63 0.09 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.143 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.458 ' C ' ' H ' ' A' ' 26' ' ' LYS . 4.3 mm? -88.37 149.85 45.53 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.441 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -71.21 24.48 0.22 Allowed 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.875 2.384 . . . . 0.0 112.911 -179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.458 ' H ' ' C ' ' A' ' 24' ' ' LEU . 4.0 mmtm -146.51 20.99 1.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.738 0.304 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.418 ' HG3' ' HB2' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -157.21 164.75 37.41 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.009 0.433 . . . . 0.0 111.687 -179.83 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.49 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 3.1 pt-20 -110.03 161.6 15.36 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.742 178.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.492 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 1.0 OUTLIER -88.04 142.17 28.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.045 0.45 . . . . 0.0 111.543 -179.214 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -118.47 -22.94 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.019 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 179.79 -151.22 9.83 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.522 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -122.19 115.32 22.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.761 0.315 . . . . 0.0 110.701 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.7 t -75.22 -7.85 55.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.053 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -160.98 178.2 9.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.97 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.4 p -115.98 -1.3 12.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.321 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 36' ' ' ARG . 33.5 mtt-85 -81.3 -3.27 52.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.965 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 115.04 46.39 0.59 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.48 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.523 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 4.7 mtt85 -124.78 176.97 6.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.681 0.277 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.523 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -150.46 161.23 42.92 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.802 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.492 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 4.0 t -108.0 131.5 54.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.052 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.49 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -123.55 143.91 49.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.015 0.436 . . . . 0.0 111.598 -179.857 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -128.23 124.54 36.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.024 179.384 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.403 ' N ' ' HB3' ' A' ' 27' ' ' GLU . 0.7 OUTLIER -39.2 131.19 1.55 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.821 -179.036 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.83 168.88 8.95 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.133 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.879 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.183 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.7 mt -132.35 138.24 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.78 0.324 . . . . 0.0 111.005 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.513 HG13 ' N ' ' A' ' 4' ' ' ASN . 0.6 OUTLIER -79.91 142.69 13.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.922 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.513 ' N ' HG13 ' A' ' 3' ' ' ILE . 70.8 m-80 -108.36 -49.82 3.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.053 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.9 p -75.11 163.68 27.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.291 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.421 ' C ' ' H ' ' A' ' 8' ' ' LYS . 0.6 OUTLIER -127.2 38.3 4.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.72 179.737 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -65.03 -1.31 2.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.781 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.421 ' H ' ' C ' ' A' ' 6' ' ' LEU . 9.0 mmtt -83.71 -19.1 35.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.519 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.411 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 3.6 p90 -156.49 36.17 0.32 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.272 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.8 -38.64 67.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.822 0.344 . . . . 0.0 110.768 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 33.1 t -83.58 12.99 4.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.347 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -112.01 -31.63 6.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.007 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.7 m -83.4 -37.79 13.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.573 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -152.08 26.73 0.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.001 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.96 116.48 8.59 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.634 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.2 -79.09 0.21 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -131.96 172.24 12.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.794 0.33 . . . . 0.0 110.98 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.486 ' SG ' ' HD2' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -133.65 142.4 48.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.5 179.786 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -103.5 168.89 8.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.998 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.1 t -82.79 -43.31 18.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.308 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.579 HD21 ' HG ' ' A' ' 22' ' ' SER . 5.9 tp -120.75 -70.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.799 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.579 ' HG ' HD21 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -117.36 150.59 38.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.766 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.6 174.74 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.98 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.524 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 79.3 mt -92.61 154.12 42.42 Favored Pre-proline 0 C--N 1.332 -0.193 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.023 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.52 -19.0 33.06 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.553 2.169 . . . . 0.0 112.999 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.24 11.02 33.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.56 -179.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.524 ' CG ' ' HB2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -151.13 145.42 25.44 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.904 0.383 . . . . 0.0 111.631 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.544 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 10.3 pt-20 -93.92 163.8 13.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.469 179.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.587 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 1.1 tm0? -90.76 136.76 32.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.902 0.382 . . . . 0.0 111.236 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.56 HD12 ' HB2' ' A' ' 42' ' ' ARG . 0.4 OUTLIER -121.61 -19.21 4.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.333 -179.804 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -164.95 -167.69 25.92 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.962 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -110.45 116.86 32.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.874 0.368 . . . . 0.0 110.858 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.459 ' HB3' ' HB3' ' A' ' 38' ' ' ARG . 3.4 t -70.39 -30.58 67.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.006 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.588 ' HB3' ' HE ' ' A' ' 38' ' ' ARG . 0.8 OUTLIER -167.08 154.24 8.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.8 p -86.32 11.59 11.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.263 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.0 mtm105 -98.09 -15.62 19.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.982 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 134.37 42.32 0.14 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.626 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.588 ' HE ' ' HB3' ' A' ' 34' ' ' SER . 67.6 mtm-85 -128.83 167.17 17.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.733 0.302 . . . . 0.0 110.668 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.498 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 2.8 mptp? -150.41 166.95 28.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.477 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.587 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 2.2 t -105.73 123.44 47.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.544 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.8 OUTLIER -111.76 144.45 41.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.04 0.448 . . . . 0.0 111.534 -179.623 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.56 ' HB2' HD12 ' A' ' 30' ' ' ILE . 4.6 tmm_? -125.46 115.12 19.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.005 179.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.405 ' N ' ' HB3' ' A' ' 27' ' ' GLU . 2.7 ttt180 -54.02 130.56 38.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.98 -179.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.96 167.8 1.12 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.205 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.963 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.149 0 N-CA-C 112.432 -0.267 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.1 tp -143.56 157.66 16.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.739 0.304 . . . . 0.0 111.157 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 mp -81.47 131.2 34.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -103.62 -43.86 5.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.064 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.24 139.49 51.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.429 ' HB2' ' CE2' ' A' ' 9' ' ' TYR . 0.8 OUTLIER -92.76 49.16 1.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.092 0.472 . . . . 0.0 110.991 -179.881 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.402 ' H ' ' HG3' ' A' ' 7' ' ' GLN . 0.7 OUTLIER -66.77 -4.81 9.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.555 179.612 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.1 mmtp -83.76 -17.73 40.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.144 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.429 ' CE2' ' HB2' ' A' ' 6' ' ' LEU . 4.8 p90 -155.65 30.26 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.414 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.44 -13.99 61.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.94 0.4 . . . . 0.0 110.419 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.599 ' SG ' ' HA3' ' A' ' 15' ' ' GLY . 44.9 t -105.75 -10.1 16.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.698 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -91.62 -6.46 52.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.0 m -103.06 -30.4 2.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.425 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -168.15 25.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.467 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.599 ' HA3' ' SG ' ' A' ' 11' ' ' CYS . . . -58.54 151.14 33.17 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.877 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.97 -100.45 1.0 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.612 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -109.71 179.63 4.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.738 0.304 . . . . 0.0 110.824 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.4 m -128.11 139.22 52.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.184 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.25 161.06 13.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.375 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 23.8 t -81.62 -41.06 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.9 0.381 . . . . 0.0 111.287 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.71 -60.9 0.86 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.374 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.6 t -117.61 144.65 44.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.398 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.66 173.49 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.151 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.483 ' HB2' ' HG3' ' A' ' 27' ' ' GLU . 4.6 mm? -91.02 146.66 34.1 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.784 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 24' ' ' LEU . 24.7 Cg_exo -63.67 -20.28 68.79 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.784 2.323 . . . . 0.0 113.118 -179.138 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.04 2.85 56.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.624 -179.321 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.483 ' HG3' ' HB2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -145.09 139.35 27.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.993 0.425 . . . . 0.0 111.476 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.505 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -86.89 165.67 15.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.347 179.621 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.545 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 0.6 OUTLIER -90.69 136.56 32.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.966 0.413 . . . . 0.0 110.885 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.484 HD13 ' HA2' ' A' ' 15' ' ' GLY . 1.1 pt -115.36 -22.94 4.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.99 -179.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 178.87 -149.12 8.66 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.611 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -109.58 99.29 8.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.766 0.317 . . . . 0.0 110.248 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -51.48 -83.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.16 -179.484 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.7 t -83.46 -163.28 0.73 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.838 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.6 t -60.33 170.82 1.2 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.187 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -48.73 109.52 0.26 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.125 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 147.48 -25.59 1.52 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.917 -0.658 . . . . 0.0 112.362 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.521 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 34.0 mtt180 -115.83 -175.21 2.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.663 0.268 . . . . 0.0 110.707 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.521 ' HG3' ' C ' ' A' ' 38' ' ' ARG . 0.1 OUTLIER -148.14 164.58 33.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.734 -179.809 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.545 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 9.1 t -107.46 131.81 53.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.435 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.505 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 2.9 m -113.87 144.66 42.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.316 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -121.8 110.54 16.03 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.031 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.42 ' N ' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -59.43 132.27 53.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.181 -179.311 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.1 153.56 51.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.818 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.176 -0.916 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.418 HG13 ' N ' ' A' ' 3' ' ' ILE . 0.7 OUTLIER -77.45 150.56 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.765 0.316 . . . . 0.0 111.145 -179.87 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.418 ' N ' HG13 ' A' ' 2' ' ' ILE . 0.3 OUTLIER -125.21 -173.08 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.22 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -73.8 -1.13 18.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.04 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.404 ' O ' HD12 ' A' ' 3' ' ' ILE . 0.3 OUTLIER -137.69 -159.71 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.626 179.849 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.403 HD12 ' O ' ' A' ' 6' ' ' LEU . 1.0 OUTLIER -131.49 43.91 3.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.064 0.459 . . . . 0.0 110.805 179.758 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.52 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 5.0 mt-30 -66.38 -4.27 7.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.28 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.87 -12.4 57.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.895 0.379 . . . . 0.0 110.74 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -155.62 17.74 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.537 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.52 ' HB2' ' HA ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -60.47 -33.17 72.19 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.401 179.724 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.559 ' HB2' HG13 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -90.57 -11.46 40.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.891 179.407 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.414 ' HB2' HH11 ' A' ' 12' ' ' ARG . 0.0 OUTLIER -83.84 -23.15 31.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.505 179.516 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.641 HG22 ' HG3' ' A' ' 14' ' ' ARG . 5.8 m -90.77 -44.02 14.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.105 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.641 ' HG3' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -152.79 61.78 0.79 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.794 179.856 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -113.25 -116.6 3.35 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.581 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 179.25 -98.88 0.12 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.674 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -114.42 176.17 5.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.756 0.313 . . . . 0.0 110.796 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.8 m -129.19 136.27 49.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.16 157.51 16.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.816 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.9 t -83.0 -28.04 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.459 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.6 mp -129.88 -80.67 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.056 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.1 t -110.62 155.36 22.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.987 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.22 172.65 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.147 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.466 ' HB2' ' HG3' ' A' ' 27' ' ' GLU . 3.6 mm? -91.59 150.37 40.95 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.401 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -74.42 27.53 0.34 Allowed 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.536 2.157 . . . . 0.0 112.97 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.41 ' H ' ' C ' ' A' ' 24' ' ' LEU . 25.0 mttt -146.86 11.05 1.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.055 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.466 ' HG3' ' HB2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -148.69 164.14 35.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.08 0.467 . . . . 0.0 111.822 -179.523 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.596 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 8.2 pt-20 -108.23 161.68 14.78 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.619 -0.718 . . . . 0.0 109.911 179.202 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.51 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -90.28 139.51 30.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.082 0.468 . . . . 0.0 111.422 -179.57 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.559 HG13 ' HB2' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -116.88 -28.16 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.441 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 172.17 171.3 36.98 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.427 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.87 126.69 30.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.745 0.307 . . . . 0.0 110.945 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.4 t -89.22 11.51 18.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -159.54 -166.57 1.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 t -117.61 -18.62 9.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.194 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -72.78 -79.97 0.07 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.95 57.36 0.22 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.548 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.567 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 27.3 mtt180 -120.06 -176.84 3.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 110.933 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.567 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -149.67 160.1 43.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.846 -179.711 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.51 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 0.5 OUTLIER -113.25 130.84 56.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.631 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.596 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -121.27 136.57 54.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.128 0.489 . . . . 0.0 111.914 -179.695 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.405 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -112.86 117.14 31.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.266 179.74 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.412 ' N ' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -47.74 136.71 10.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.207 -179.618 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -59.6 160.85 6.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.164 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.5 mttp . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.88 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.122 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.0 tt -163.08 146.23 3.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.785 0.326 . . . . 0.0 111.155 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.462 HG13 ' N ' ' A' ' 4' ' ' ASN . 3.8 tp -130.28 148.34 33.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.287 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.462 ' N ' HG13 ' A' ' 3' ' ' ILE . 31.8 t-20 -76.51 -54.02 7.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.751 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -153.93 158.05 40.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.759 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.404 ' HB2' ' CE1' ' A' ' 9' ' ' TYR . 1.1 pp -122.85 41.81 3.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.916 0.388 . . . . 0.0 111.134 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.456 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -66.26 -2.84 4.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 179.758 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.7 mmtm -82.31 -15.45 52.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.828 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.404 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -154.91 25.37 0.44 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.626 179.584 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.456 ' HB2' ' HA ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -60.37 -29.83 69.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.635 179.755 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.46 ' HA ' ' HA3' ' A' ' 15' ' ' GLY . 0.5 OUTLIER -85.0 -20.52 30.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.68 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -79.14 -45.35 20.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.709 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.5 m -64.71 -36.0 76.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.001 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.593 ' HG3' ' H ' ' A' ' 15' ' ' GLY . 0.3 OUTLIER -165.22 -72.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 179.809 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.593 ' H ' ' HG3' ' A' ' 14' ' ' ARG . . . 56.52 -130.88 50.69 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.743 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -167.8 -88.63 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.182 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -127.55 151.62 48.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.706 0.289 . . . . 0.0 110.266 179.444 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.1 m -114.27 137.83 51.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.801 0.334 . . . . 0.0 111.435 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.5 156.73 16.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.578 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.0 t -82.54 -32.11 10.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.587 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.93 -69.56 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.818 0.342 . . . . 0.0 110.837 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.0 t -117.92 152.61 35.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.796 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.7 171.37 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.039 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.576 HD12 ' HD2' ' A' ' 25' ' ' PRO . 2.8 mm? -92.24 145.3 30.46 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.045 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.576 ' HD2' HD12 ' A' ' 24' ' ' LEU . 57.8 Cg_endo -71.98 27.37 0.25 Allowed 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.515 2.143 . . . . 0.0 113.063 -179.312 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.449 ' H ' ' C ' ' A' ' 24' ' ' LEU . 13.5 mttt -146.83 15.0 1.2 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.936 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.606 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 0.0 OUTLIER -147.78 153.77 39.64 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.095 0.474 . . . . 0.0 111.527 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.49 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 4.4 tp10 -99.72 151.57 21.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.762 179.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.462 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 0.6 OUTLIER -88.7 143.05 27.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.067 0.46 . . . . 0.0 111.26 -179.359 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.491 HD13 ' HA2' ' A' ' 15' ' ' GLY . 0.4 OUTLIER -121.95 -21.92 3.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.097 -179.645 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -174.86 -179.08 45.21 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.459 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.453 ' HZ3' ' HG2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -92.43 133.72 35.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.706 0.288 . . . . 0.0 110.274 179.636 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 8.4 t -84.56 -42.29 15.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.213 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.708 ' HB3' ' HE ' ' A' ' 38' ' ' ARG . 39.9 p -106.7 -77.6 0.59 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.994 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -169.43 -33.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.154 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.9 -10.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.16 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.56 -15.47 22.79 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.835 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.708 ' HE ' ' HB3' ' A' ' 34' ' ' SER . 61.7 mtm180 -132.49 168.68 17.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.793 0.33 . . . . 0.0 111.075 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.534 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -151.02 173.0 14.83 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.561 -179.859 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 17.1 t -114.96 112.1 22.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.697 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.606 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 0.5 OUTLIER -117.65 133.15 56.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.104 0.478 . . . . 0.0 111.845 -179.571 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.499 HH11 ' HB2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -114.98 130.91 57.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.996 179.071 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -41.63 117.79 0.98 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.308 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.02 158.96 17.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.062 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.276 -0.868 . . . . 0.0 110.881 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.231 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.2 tt -102.17 137.75 28.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.825 0.345 . . . . 0.0 111.116 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.4 tt -140.79 155.5 22.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.228 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -92.77 -61.76 1.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.17 -80.44 0.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.06 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.442 ' HB2' ' CE1' ' A' ' 9' ' ' TYR . 1.0 OUTLIER -168.86 43.33 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.787 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.418 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 18.1 mt-30 -64.59 -3.79 3.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.007 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -81.91 -16.29 51.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.829 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.442 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -154.56 28.06 0.44 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.674 179.629 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.418 ' HB2' ' HA ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -65.53 -26.32 67.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.348 179.544 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 45.8 t -87.19 0.54 55.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.426 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -97.3 -33.07 11.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.707 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.5 m -83.66 -35.01 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.314 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -156.64 46.79 0.44 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.077 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.638 ' HA2' HD12 ' A' ' 30' ' ' ILE . . . -83.52 112.95 3.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.576 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.85 -76.78 0.24 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.446 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 -135.22 176.92 8.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.791 0.329 . . . . 0.0 110.867 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 88.2 m -131.93 138.69 48.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.712 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.85 144.06 28.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.9 t -82.52 -19.55 10.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.371 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.5 mp -125.37 -66.68 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.805 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 91.5 p -147.92 155.33 41.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -48.75 152.09 1.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.212 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.552 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 11.8 mt -92.14 137.03 25.18 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.484 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_exo -53.43 -17.54 9.4 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.742 2.294 . . . . 0.0 112.995 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.44 ' HB3' ' HZ1' ' A' ' 44' ' ' LYS . 11.9 mttt -95.1 19.69 10.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.389 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.552 ' CG ' ' HB2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -154.99 160.02 40.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.152 0.501 . . . . 0.0 111.877 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.512 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 11.6 tp10 -109.25 149.87 28.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.806 179.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.491 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 1.1 tm0? -86.65 139.88 30.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.085 0.469 . . . . 0.0 111.074 -179.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.638 HD12 ' HA2' ' A' ' 15' ' ' GLY . 0.6 OUTLIER -119.3 -23.69 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.105 -179.506 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -172.28 -164.38 27.7 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.405 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 mtmm -111.71 111.21 22.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.862 0.363 . . . . 0.0 110.999 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.9 t -65.94 -18.56 65.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.764 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.7 t -153.11 155.11 36.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.954 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.6 t -92.55 17.44 10.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.236 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -107.31 -74.42 0.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.019 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -159.13 49.97 0.4 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.478 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.484 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 22.7 mtt180 -137.79 169.88 17.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.763 0.316 . . . . 0.0 110.723 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.484 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -150.21 171.19 17.33 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.736 -179.819 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.491 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 8.7 t -111.94 117.87 33.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.927 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.539 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -119.32 144.4 46.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.014 0.435 . . . . 0.0 111.409 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.67 127.6 45.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.447 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.89 142.1 0.52 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.106 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.634 ' H ' ' HE2' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -60.26 175.12 0.45 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.274 0.559 . . . . 0.0 110.996 -179.761 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.426 ' HZ3' ' HG3' ' A' ' 45' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.168 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -164.66 146.16 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.756 0.312 . . . . 0.0 110.712 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.3 tt -166.4 139.52 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.227 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -143.75 -70.48 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.7 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.28 -167.13 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 0.7 OUTLIER -83.8 119.96 25.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.063 0.459 . . . . 0.0 111.068 -179.875 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.54 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -130.9 -14.83 3.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.217 179.637 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.58 -4.65 57.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.188 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.413 ' CE2' ' HB2' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -153.49 16.61 0.53 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.601 -179.723 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.54 ' HB2' ' HA ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -59.05 -33.03 70.31 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.355 179.693 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.513 ' SG ' ' HA3' ' A' ' 15' ' ' GLY . 0.1 OUTLIER -87.66 -11.15 49.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.148 179.417 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -87.05 -24.87 24.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.917 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.9 m -88.11 -35.72 8.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.756 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -175.09 46.69 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.823 0.344 . . . . 0.0 111.087 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.513 ' HA3' ' SG ' ' A' ' 11' ' ' CYS . . . -72.19 -128.66 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.684 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -173.71 -99.44 0.12 Allowed Glycine 0 N--CA 1.453 -0.19 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.594 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.35 179.76 3.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.719 0.295 . . . . 0.0 110.718 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -134.24 146.18 49.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.05 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.6 154.35 21.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 38.6 t -82.68 -38.18 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.826 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.23 -63.94 0.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.85 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.61 145.25 45.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.797 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.29 172.19 0.34 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.422 ' HB2' ' HG3' ' A' ' 27' ' ' GLU . 4.5 mm? -93.27 138.93 22.9 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.529 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.89 -17.2 35.7 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.525 2.15 . . . . 0.0 112.684 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -94.16 11.64 29.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.172 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.422 ' HG3' ' HB2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -156.4 155.59 32.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.006 0.432 . . . . 0.0 111.477 -179.805 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.617 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 0.2 OUTLIER -103.42 163.43 12.28 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.106 179.243 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.61 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -88.24 134.8 33.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.999 0.428 . . . . 0.0 111.329 -179.645 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.576 HD12 ' HB3' ' A' ' 42' ' ' ARG . 0.4 OUTLIER -124.55 -19.87 3.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.457 -179.749 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -158.54 -173.44 26.95 Favored Glycine 0 N--CA 1.453 -0.178 0 C-N-CA 120.238 -0.982 . . . . 0.0 113.214 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -114.09 113.02 24.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.869 0.366 . . . . 0.0 110.491 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.2 t -62.7 -17.33 60.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.36 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.418 ' HB3' ' H ' ' A' ' 35' ' ' THR . 5.6 t -139.53 -98.18 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.99 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.418 ' H ' ' HB3' ' A' ' 34' ' ' SER . 0.1 OUTLIER -136.16 -43.07 0.64 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.845 0.355 . . . . 0.0 110.996 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -161.93 -12.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.831 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.36 -60.47 2.23 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.416 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.573 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 36.4 mtm180 -94.32 173.24 7.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.715 0.293 . . . . 0.0 110.796 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.573 ' HG3' ' C ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -150.51 173.25 14.29 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.718 -179.885 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.61 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -112.62 130.97 55.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.638 179.738 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.617 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 1.3 m -122.93 133.51 54.39 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -179.277 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.576 ' HB3' HD12 ' A' ' 30' ' ' ILE . 4.0 ppt_? -111.09 122.7 48.56 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.191 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.1 ttp85 -53.57 141.22 26.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.28 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.88 160.41 28.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.793 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.248 -0.882 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.96 142.48 41.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.912 0.387 . . . . 0.0 111.194 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.466 HG13 ' N ' ' A' ' 4' ' ' ASN . 0.5 OUTLIER -82.64 138.12 19.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.032 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.466 ' N ' HG13 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -128.9 -13.02 4.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.78 179.823 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.56 -173.17 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.01 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.428 ' HB2' ' CE1' ' A' ' 9' ' ' TYR . 1.2 pp -161.71 41.21 0.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.557 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -66.08 -2.05 3.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.866 179.562 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.36 -13.28 57.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.092 0.472 . . . . 0.0 110.392 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.496 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -154.33 13.28 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.527 179.401 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.557 ' HB2' ' HA ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -60.49 -45.78 92.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.04 179.367 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -80.15 -5.11 55.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.775 178.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.496 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 5.7 ttm180 -82.98 -44.3 15.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.713 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.831 HG23 ' HG2' ' A' ' 14' ' ' ARG . 34.7 m -64.28 -30.29 49.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.91 0.386 . . . . 0.0 110.806 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.831 ' HG2' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -144.35 -71.33 0.28 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.51 179.377 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 51.23 90.2 0.01 OUTLIER Glycine 0 C--N 1.332 0.319 0 C-N-CA 121.208 -0.52 . . . . 0.0 112.806 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.09 -85.79 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.612 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -126.76 179.24 5.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.668 0.271 . . . . 0.0 110.503 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 87.0 m -134.0 139.56 46.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 111.237 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.99 172.4 6.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.773 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.457 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 15.2 t -83.41 -47.6 18.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.235 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.4 tp -135.13 -49.72 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.117 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.0 p -117.99 140.72 49.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.78 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.96 176.39 0.21 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.242 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.496 HD12 ' HD2' ' A' ' 25' ' ' PRO . 4.3 mm? -92.05 149.15 38.25 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.868 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.496 ' HD2' HD12 ' A' ' 24' ' ' LEU . 73.9 Cg_endo -75.61 27.07 0.39 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.747 2.298 . . . . 0.0 112.645 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.418 ' H ' ' C ' ' A' ' 24' ' ' LEU . 0.7 OUTLIER -142.32 2.15 1.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.445 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.44 ' CG ' ' HB2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -143.07 144.86 32.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.18 -179.816 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.601 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 7.2 pt-20 -92.64 161.77 14.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.25 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.583 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 16.9 tt0 -91.18 141.82 28.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.994 0.426 . . . . 0.0 111.672 -179.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.423 HG13 ' HB2' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -121.44 -22.08 3.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.171 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -175.18 -161.01 24.05 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.788 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -111.15 118.55 36.28 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.855 0.359 . . . . 0.0 110.364 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.9 t -70.56 -48.22 56.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.348 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.08 152.13 46.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.983 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.7 t -74.62 -15.74 60.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.174 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.9 mtt180 -64.99 -65.71 0.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.34 45.91 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.496 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.564 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 20.4 mtm-85 -116.77 179.06 4.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.737 0.303 . . . . 0.0 110.744 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.564 ' HG3' ' C ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -149.81 166.91 28.05 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.953 -179.704 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.583 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 0.2 OUTLIER -108.28 119.88 40.76 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.245 179.88 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.601 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -116.67 129.66 56.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.525 -179.869 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.423 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -115.7 130.28 56.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.415 179.482 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -50.02 133.72 22.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.392 -179.379 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.45 129.12 50.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.782 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.92 162.36 39.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.837 0.351 . . . . 0.0 110.921 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.439 ' N ' HD12 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -115.79 143.13 26.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 179.705 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -80.53 -33.11 36.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.756 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.5 p -59.37 138.66 57.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.823 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.46 ' HB2' ' CE2' ' A' ' 9' ' ' TYR . 1.0 OUTLIER -102.84 41.17 1.27 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.102 0.477 . . . . 0.0 110.999 -179.778 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -64.55 -4.74 4.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.076 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -84.17 -13.41 52.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.235 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.46 ' CE2' ' HB2' ' A' ' 6' ' ' LEU . 4.8 p90 -155.14 29.86 0.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.939 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.426 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -71.29 -35.0 71.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.503 179.68 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.7 ' HA ' ' HA3' ' A' ' 15' ' ' GLY . 5.8 t -81.63 7.24 12.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.433 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.486 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -107.57 -24.25 11.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.708 -179.719 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.431 HG22 ' HG2' ' A' ' 14' ' ' ARG . 27.9 m -91.29 -33.94 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.764 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.431 ' HG2' HG22 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -169.43 33.66 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.819 0.343 . . . . 0.0 110.899 -179.764 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.7 ' HA3' ' HA ' ' A' ' 11' ' ' CYS . . . -72.63 139.79 28.15 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.774 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.83 -100.64 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.534 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' A' ' 17' ' ' ARG . 4.7 ptp180 -105.46 172.06 6.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.814 0.34 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.9 m -133.52 136.61 45.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.077 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -103.46 167.07 10.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.7 t -84.13 -42.76 17.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.342 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.1 -80.34 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.744 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 40.6 t -104.53 150.8 24.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.74 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.21 175.72 0.69 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.54 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 3.6 mm? -93.73 148.26 35.05 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.423 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -68.52 -15.43 41.57 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.445 2.096 . . . . 0.0 113.009 -179.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.457 ' O ' ' HD3' ' A' ' 44' ' ' LYS . 0.6 OUTLIER -94.61 1.25 55.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.66 0.267 . . . . 0.0 111.313 -179.711 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.58 ' HB3' ' N ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -142.42 146.86 35.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.057 0.456 . . . . 0.0 111.667 -179.79 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.528 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 2.1 pt-20 -92.07 162.11 14.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.157 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.623 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 1.9 tt0 -91.46 136.06 33.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.923 0.392 . . . . 0.0 111.013 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -119.81 -15.2 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.317 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -179.74 -156.06 16.82 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.726 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.7 mttp -125.35 104.38 8.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.857 0.36 . . . . 0.0 110.634 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.3 t -52.84 -63.29 1.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.359 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.0 t -102.38 163.0 12.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.8 p -97.66 -0.41 45.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.4 mmm-85 -77.61 -41.85 37.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.963 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 156.59 49.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.326 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.565 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 11.2 mtt180 -124.67 -174.49 3.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.88 0.371 . . . . 0.0 111.03 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.565 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -149.35 164.96 33.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.921 -179.781 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.623 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 6.5 t -109.28 131.42 55.08 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.058 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.528 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 1.5 m -118.76 145.14 45.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.454 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.418 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -128.29 108.5 10.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.377 179.76 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.58 ' N ' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -52.97 137.43 32.74 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.236 -179.403 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.528 ' HE3' ' HB3' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -119.65 66.66 0.81 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.183 0.516 . . . . 0.0 110.93 179.789 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.874 179.906 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.225 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -125.25 78.15 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.855 0.359 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.417 HG12 HD22 ' A' ' 6' ' ' LEU . 1.7 tt -157.1 99.78 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.969 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -109.53 51.61 0.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.138 -179.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.3 t -125.8 -13.48 6.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.267 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.44 ' HB2' ' CE1' ' A' ' 9' ' ' TYR . 0.9 OUTLIER -88.94 38.19 0.87 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.01 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -66.08 -0.54 2.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.69 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.422 ' H ' ' C ' ' A' ' 6' ' ' LEU . 12.2 mptt -82.2 -25.0 34.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.328 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.44 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 1.4 p90 -150.65 34.67 0.62 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.349 -0.842 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.76 -19.88 61.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.364 179.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.705 ' HA ' ' HA3' ' A' ' 15' ' ' GLY . 0.1 OUTLIER -91.95 0.54 57.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.569 179.686 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.08 -13.22 15.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.67 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.5 m -100.8 -37.54 5.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.31 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -164.35 30.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.705 ' HA3' ' HA ' ' A' ' 11' ' ' CYS . . . -72.24 132.3 18.58 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.53 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.39 -91.66 0.23 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.58 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -122.13 -174.95 3.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.734 0.302 . . . . 0.0 110.722 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 74.9 m -132.43 142.58 49.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.34 154.27 18.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.2 t -83.07 -36.55 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.419 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -130.98 -62.67 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.62 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.487 ' HA ' ' HZ2' ' A' ' 39' ' ' LYS . 63.3 p -122.84 147.85 46.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.476 179.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -55.32 171.45 0.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.232 -179.699 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.461 HD22 ' N ' ' A' ' 24' ' ' LEU . 4.3 mm? -90.0 146.46 35.15 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.692 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 24' ' ' LEU . 11.8 Cg_exo -71.34 25.28 0.23 Allowed 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.947 2.431 . . . . 0.0 112.995 -179.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.452 ' H ' ' C ' ' A' ' 24' ' ' LEU . 11.9 mmtt -144.82 9.15 1.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.755 0.312 . . . . 0.0 110.944 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.412 ' CG ' ' HB2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -147.72 142.4 26.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.219 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.564 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 17.1 tp10 -89.69 158.37 17.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.253 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.607 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 1.6 tm0? -88.71 137.96 31.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.926 0.393 . . . . 0.0 111.018 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -117.42 -25.54 2.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.124 -179.629 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -175.65 -171.8 39.89 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.589 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -99.97 111.77 24.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.339 . . . . 0.0 110.745 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.7 t -57.93 -39.15 77.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.126 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -111.59 -163.84 0.88 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.917 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 p -71.29 -47.29 57.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.122 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -166.48 138.17 3.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.98 -44.76 1.42 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.662 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.0 mtm-85 -97.56 -178.65 4.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.844 0.354 . . . . 0.0 111.122 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.487 ' HZ2' ' HA ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -154.48 173.06 16.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.22 -179.724 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.607 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 1.5 m -116.11 125.13 51.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.662 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.507 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 1.5 m -118.5 134.86 54.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.965 0.412 . . . . 0.0 111.579 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.71 129.84 52.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.246 179.38 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.03 133.33 3.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.53 -179.304 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.34 165.74 21.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.987 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.301 -0.856 . . . . 0.0 110.841 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.164 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.6 mm -91.45 140.72 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.778 0.323 . . . . 0.0 111.122 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.3 pp -110.34 149.87 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.231 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -95.06 -73.59 0.58 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.011 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.7 p -67.97 122.19 17.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.224 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.658 HD12 ' HA ' ' A' ' 10' ' ' TYR . 0.9 OUTLIER -76.41 125.7 29.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.09 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.584 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -138.81 -16.81 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.321 179.678 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.3 mmtt -81.78 -3.37 53.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.743 179.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.441 ' CE2' ' HB2' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -152.73 21.42 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.24 179.556 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.658 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -63.2 -35.47 80.43 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.129 179.484 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.3 t -85.24 0.95 50.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.247 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -94.88 -38.42 10.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.805 HG23 ' HG2' ' A' ' 14' ' ' ARG . 10.4 m -73.36 -25.5 21.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.053 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.805 ' HG2' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -160.98 -63.84 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.449 179.732 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.668 ' HA2' HD11 ' A' ' 30' ' ' ILE . . . 53.67 -145.53 23.81 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 121.007 -0.616 . . . . 0.0 113.079 179.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -173.69 -93.0 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 121.091 -0.576 . . . . 0.0 112.256 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -123.47 173.11 8.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.755 0.312 . . . . 0.0 110.689 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.8 m -130.43 135.63 48.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.982 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -103.39 167.07 10.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.106 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 36.8 t -83.2 -46.89 18.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.065 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.411 ' O ' ' HD2' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -120.77 -78.23 0.59 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.562 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.5 ' HA ' ' HZ1' ' A' ' 39' ' ' LYS . 26.3 t -104.11 153.83 20.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.509 179.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.21 174.82 0.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.436 ' HB2' ' HG3' ' A' ' 27' ' ' GLU . 3.2 mm? -90.32 136.97 27.89 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.729 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.68 -21.48 32.03 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.784 2.323 . . . . 0.0 113.15 -179.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.1 mtmm -93.28 13.95 19.78 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.757 0.313 . . . . 0.0 111.298 -179.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.579 ' HB3' ' HA ' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -156.2 166.66 32.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.147 0.499 . . . . 0.0 111.698 -179.858 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.528 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 1.5 pt-20 -113.52 165.38 12.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.802 179.208 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.582 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 6.5 tt0 -88.45 137.04 32.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.082 0.467 . . . . 0.0 111.157 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.668 HD11 ' HA2' ' A' ' 15' ' ' GLY . 0.2 OUTLIER -119.82 -21.87 4.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.026 -179.486 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -167.15 -148.98 5.82 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.572 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.567 ' HA ' ' HA ' ' A' ' 39' ' ' LYS . 1.6 ptmm? -136.26 105.35 5.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.823 0.344 . . . . 0.0 110.836 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.6 t -61.51 -33.2 73.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.941 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -144.21 143.87 31.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.7 p -91.5 11.46 23.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.081 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -92.14 -13.19 31.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.776 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.73 44.29 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.427 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.595 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 21.1 mtt180 -138.82 175.65 9.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.666 0.27 . . . . 0.0 110.874 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.595 ' HG3' ' C ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -150.94 169.91 20.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.799 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.582 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 1.3 m -106.96 134.97 49.31 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.089 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.528 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 8.5 m -113.69 155.64 25.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.116 0.484 . . . . 0.0 111.677 -179.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.46 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 11.0 tpp180 -132.25 104.67 6.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.841 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.579 ' HA ' ' HB3' ' A' ' 27' ' ' GLU . 8.3 ttp180 -56.73 142.71 39.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.673 -178.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.472 ' HE2' ' HG2' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -102.58 171.18 7.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.908 179.819 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.142 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.3 mt -121.54 143.61 33.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.715 0.293 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -62.25 135.35 26.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.855 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -60.5 -58.01 10.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.201 -179.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.19 91.97 3.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.425 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.46 ' HB2' ' CE1' ' A' ' 9' ' ' TYR . 0.9 OUTLIER -108.24 39.49 1.96 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.631 179.622 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -64.33 -4.42 3.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.066 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.28 -14.99 54.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.86 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.46 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 2.2 p90 -157.19 29.65 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.06 179.566 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.95 -40.64 83.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.588 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.5 t -80.26 2.04 26.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.997 179.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' ' 12' ' ' ARG . 5.6 ttt-85 -96.14 -45.43 6.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.648 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.7 m -57.47 -29.15 32.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 121.041 0.448 . . . . 0.0 110.647 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.24 -67.68 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.172 179.157 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.06 101.88 0.01 OUTLIER Glycine 0 C--N 1.331 0.3 0 C-N-CA 121.161 -0.542 . . . . 0.0 113.0 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.3 -83.35 0.15 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.581 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' ' 17' ' ' ARG . 1.3 ptm85 -136.29 166.63 22.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.792 0.33 . . . . 0.0 110.85 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 68.8 m -114.21 134.85 54.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.659 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.8 159.61 14.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.945 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.423 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 22.7 t -83.56 -48.98 16.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.405 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 tp -118.78 -54.47 2.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.962 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.499 ' HA ' ' HZ3' ' A' ' 39' ' ' LYS . 0.9 OUTLIER -132.38 150.03 52.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.808 179.884 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -57.41 172.57 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.272 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.471 HD11 ' HD2' ' A' ' 25' ' ' PRO . 2.7 mm? -93.37 140.73 23.3 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.643 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.471 ' HD2' HD11 ' A' ' 24' ' ' LEU . 21.0 Cg_endo -60.84 -17.73 52.31 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.688 2.258 . . . . 0.0 112.74 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.447 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 8.4 mttt -95.8 13.95 24.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.52 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.452 ' HB3' ' C ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -154.02 146.34 23.89 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.828 0.347 . . . . 0.0 111.39 179.885 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.53 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 4.1 pt-20 -95.71 159.67 14.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.871 179.173 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.499 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 13.4 tt0 -88.97 141.18 28.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.035 0.445 . . . . 0.0 111.375 -179.512 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.32 -21.24 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.117 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -169.64 -155.67 10.22 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.541 -0.838 . . . . 0.0 112.997 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.6 mttp -114.6 102.6 10.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.882 0.373 . . . . 0.0 110.338 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.431 ' HB2' ' O ' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -63.91 -8.67 11.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.347 -179.616 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.2 t -138.86 -96.22 0.17 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.167 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -137.88 -63.42 0.57 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.02 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.6 ttp-105 -150.03 -20.76 0.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.946 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.51 -37.51 17.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.46 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.566 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 3.5 mtt180 -109.09 173.92 6.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.639 0.256 . . . . 0.0 110.669 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.566 ' HG3' ' C ' ' A' ' 38' ' ' ARG . 1.4 mptt -150.44 169.39 21.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.899 0.38 . . . . 0.0 110.932 -179.559 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.499 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 11.5 t -106.52 123.05 47.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.638 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.53 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -120.6 136.82 54.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.905 0.383 . . . . 0.0 111.741 -179.26 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.452 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -112.42 122.79 48.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.312 179.353 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -50.2 146.48 5.0 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.48 -179.273 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -55.61 148.2 16.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.11 -179.845 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.893 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.229 0 N-CA-C 112.546 -0.222 . . . . 0.0 112.546 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.8 mm -93.86 125.88 46.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.77 0.319 . . . . 0.0 111.199 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.5 tt -112.88 138.18 43.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -57.33 -52.98 63.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.8 m -137.79 134.1 34.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.467 ' HB2' ' CE1' ' A' ' 9' ' ' TYR . 1.2 pp -131.92 39.42 3.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.966 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -65.04 -2.55 2.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.023 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -83.73 -14.7 51.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.467 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 0.4 OUTLIER -154.89 25.31 0.44 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.209 179.764 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.52 -24.94 66.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.993 0.425 . . . . 0.0 110.388 179.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.0 t -88.69 -1.2 57.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.582 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.8 mmm-85 -98.49 -24.28 15.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.761 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.64 HG23 ' HG3' ' A' ' 14' ' ' ARG . 16.0 m -86.45 -29.71 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.338 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.64 ' HG3' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -166.88 42.12 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.874 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.6 133.8 25.7 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.719 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.01 -101.05 0.92 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.569 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.0 ptm85 -106.77 -174.84 2.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.737 0.303 . . . . 0.0 110.952 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.7 m -137.22 133.79 35.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.065 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.68 164.34 11.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.511 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 9.5 t -83.4 -49.16 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.378 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.53 -40.36 0.8 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.626 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.88 138.56 51.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.727 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.67 171.06 1.23 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.979 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.425 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 55.6 mt -90.21 147.61 37.33 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.931 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.64 -14.7 46.04 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.576 2.184 . . . . 0.0 112.613 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -94.24 1.32 56.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.344 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.452 ' HG3' ' HB2' ' A' ' 41' ' ' CYS . 0.0 OUTLIER -147.22 143.53 28.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.031 0.443 . . . . 0.0 111.675 -179.577 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.598 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 0.0 OUTLIER -93.01 165.14 13.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.215 179.368 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.588 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 0.8 OUTLIER -90.05 137.07 32.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.003 0.43 . . . . 0.0 111.301 -179.643 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.549 HD12 ' HB3' ' A' ' 42' ' ' ARG . 0.3 OUTLIER -121.51 -21.32 3.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.125 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -168.08 -159.03 12.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.774 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -117.92 116.83 27.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.815 0.341 . . . . 0.0 110.793 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 46.5 t -71.23 -6.7 41.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.786 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.7 t -156.88 174.56 15.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.786 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -57.4 -38.93 75.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.087 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -171.6 145.34 2.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.922 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 107.57 -35.33 5.07 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.913 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.565 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 17.1 mtt180 -117.67 172.56 7.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.902 0.382 . . . . 0.0 111.239 -179.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.565 ' HG3' ' C ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -150.04 171.97 15.99 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.512 -179.868 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.588 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 26.0 m -109.36 123.83 49.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.864 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.598 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -115.8 131.89 56.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.709 -179.421 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.549 ' HB3' HD12 ' A' ' 30' ' ' ILE . 0.4 OUTLIER -117.18 126.28 52.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.185 179.22 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.88 134.23 25.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.34 -179.24 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.19 162.34 23.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.91 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 112.552 -0.219 . . . . 0.0 112.552 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.6 mt -121.71 114.35 42.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.758 0.313 . . . . 0.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -130.32 136.71 57.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.208 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -134.46 -25.04 1.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.27 -88.67 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.494 HD12 ' O ' ' A' ' 6' ' ' LEU . 1.5 pp -172.23 30.99 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.06 0.457 . . . . 0.0 110.775 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -65.4 0.55 1.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.808 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.443 ' H ' ' C ' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -82.18 -14.12 56.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 -179.872 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -154.75 22.48 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.304 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.43 -51.13 60.13 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.162 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.7 t -71.89 -15.48 62.11 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 178.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -87.47 -22.85 24.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.824 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -81.84 -22.81 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.683 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -156.03 -60.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.496 179.474 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.78 88.51 0.01 OUTLIER Glycine 0 C--N 1.332 0.316 0 CA-C-N 116.035 -0.53 . . . . 0.0 113.091 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.26 -91.68 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.011 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.51 163.36 15.87 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 179.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.7 m -132.39 134.24 44.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.878 0.371 . . . . 0.0 111.303 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.489 ' O ' ' HG2' ' A' ' 38' ' ' ARG . . . -101.44 155.67 17.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.566 179.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.433 ' O ' HG12 ' A' ' 20' ' ' VAL . 22.5 t -82.47 -22.71 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.36 -179.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.27 -86.81 0.54 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.016 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.9 t -110.52 153.11 25.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.808 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -61.86 168.36 3.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.473 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 31.9 mt -91.07 146.58 33.9 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.972 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -66.84 -11.66 32.94 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.431 2.088 . . . . 0.0 112.308 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.79 0.3 54.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.048 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.473 ' CG ' ' HB2' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -146.7 150.08 34.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.102 0.477 . . . . 0.0 111.615 -179.795 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.552 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 2.7 pt-20 -96.97 164.34 12.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.168 179.405 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.52 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -89.07 139.39 30.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.058 0.456 . . . . 0.0 111.216 -179.531 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -118.67 -20.18 5.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.128 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 175.79 154.1 11.11 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.46 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -67.51 123.93 21.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.849 0.357 . . . . 0.0 110.78 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.6 t -71.35 -30.51 66.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.943 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.5 m -154.62 174.64 14.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.9 p -96.64 -7.8 33.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.195 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.7 mtm180 -74.84 -44.11 50.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 155.33 47.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.502 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.568 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 5.1 mtt180 -125.93 171.38 10.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.663 0.268 . . . . 0.0 110.815 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.568 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 0.2 OUTLIER -150.82 163.38 38.77 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.904 0.383 . . . . 0.0 111.063 -179.708 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.52 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 57.0 m -108.25 127.2 53.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.79 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.552 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.5 OUTLIER -117.6 137.59 52.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.047 0.451 . . . . 0.0 111.826 -179.506 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -117.46 118.59 32.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.032 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.416 ' N ' ' HB3' ' A' ' 27' ' ' GLU . 9.4 mtp180 -52.05 141.79 17.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.313 -179.29 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.2 mmtp -53.71 119.81 5.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.214 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.205 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.585 HG13 ' H ' ' A' ' 3' ' ' ILE . 0.8 OUTLIER -165.18 171.65 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.766 0.317 . . . . 0.0 111.09 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.585 ' H ' HG13 ' A' ' 2' ' ' ILE . 0.9 OUTLIER -70.82 135.26 28.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.133 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -62.75 -35.48 79.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.731 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.535 ' HB ' ' HG3' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -102.04 178.79 4.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.882 179.889 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.484 ' HB2' ' CE1' ' A' ' 9' ' ' TYR . 1.0 OUTLIER -111.58 38.04 2.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.955 0.407 . . . . 0.0 110.933 179.895 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.545 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 6.5 mt-30 -65.58 -2.29 3.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.85 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.93 -14.44 57.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.006 0.431 . . . . 0.0 110.446 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.492 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -155.21 15.09 0.4 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.462 179.213 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.545 ' HB2' ' HA ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -63.92 -32.03 73.42 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.431 ' O ' ' HA3' ' A' ' 15' ' ' GLY . 0.0 OUTLIER -91.21 15.27 12.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.803 179.132 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.492 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -110.42 -28.1 8.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.489 -179.854 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.4 m -84.45 -28.03 6.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.438 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -156.4 12.77 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.935 0.398 . . . . 0.0 110.438 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.431 ' HA3' ' O ' ' A' ' 11' ' ' CYS . . . -73.04 146.25 37.71 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.671 -179.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.42 -75.47 1.1 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.959 -0.639 . . . . 0.0 112.643 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -133.69 -171.5 2.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.853 0.359 . . . . 0.0 111.041 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 m -132.73 143.78 49.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.969 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.473 ' HB3' HD21 ' A' ' 24' ' ' LEU . . . -102.63 167.06 10.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.021 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.418 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -83.93 -45.86 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.44 -179.688 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.435 ' HA ' ' O ' ' A' ' 37' ' ' GLY . 0.1 OUTLIER -127.13 -60.54 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.784 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.88 154.95 35.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.829 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.465 ' SG ' ' HG3' ' A' ' 29' ' ' GLN . 0.5 OUTLIER -52.83 166.12 0.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.927 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.564 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 3.0 mm? -91.05 148.55 38.21 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.579 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.448 ' C ' ' HG2' ' A' ' 26' ' ' LYS . 13.4 Cg_exo -70.57 22.47 0.2 Allowed 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.92 2.414 . . . . 0.0 113.003 -179.322 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.457 ' H ' ' C ' ' A' ' 24' ' ' LEU . 3.7 mttm -144.01 19.8 1.78 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.644 0.259 . . . . 0.0 111.114 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.576 ' HA ' ' HG3' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -153.25 160.06 42.7 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.951 0.405 . . . . 0.0 111.807 -179.874 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.586 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 5.0 pt-20 -106.44 153.77 21.78 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.768 179.091 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.547 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -88.67 137.98 31.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.141 0.496 . . . . 0.0 111.558 -179.164 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -123.86 -22.1 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.958 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -162.46 -162.25 13.23 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.748 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -125.17 108.38 11.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.805 0.336 . . . . 0.0 110.716 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 t -60.36 -23.01 63.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.095 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 p -139.6 166.65 24.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.6 p -59.82 -40.25 87.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.08 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -167.28 103.26 0.53 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.435 ' O ' ' HA ' ' A' ' 21' ' ' LEU . . . 149.63 -34.12 1.06 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.43 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.539 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 10.3 mtm180 -123.49 172.7 8.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.718 0.294 . . . . 0.0 110.777 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.539 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 3.1 mptp? -150.91 173.07 14.7 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.766 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.547 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 57.2 m -110.46 112.22 24.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.097 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.586 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -120.59 131.55 54.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.961 0.41 . . . . 0.0 111.4 179.73 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.447 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -111.74 129.83 55.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.482 179.509 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.84 136.27 22.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.376 -179.386 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.576 ' HG3' ' HA ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -116.38 133.34 56.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.901 179.855 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 pttt . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.882 -179.979 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 N-CA-C 112.422 -0.271 . . . . 0.0 112.422 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 35.8 mm -71.63 136.15 26.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.722 0.296 . . . . 0.0 110.91 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 7.0 tt -106.06 145.33 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.026 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -143.16 62.02 1.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.19 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.6 t -132.02 -20.52 2.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.299 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.482 ' HB2' ' CE1' ' A' ' 9' ' ' TYR . 1.1 pp -97.0 36.44 1.42 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.411 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 4.4 mt-30 -65.61 -1.0 2.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.657 179.362 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.417 ' H ' ' C ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -81.06 -15.32 56.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.643 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.494 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -155.2 17.38 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.977 179.748 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.411 ' HB2' ' HA ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -66.08 -28.7 69.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.114 0.483 . . . . 0.0 109.745 179.254 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.538 ' O ' ' HA3' ' A' ' 15' ' ' GLY . 57.5 m -87.04 8.38 23.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.936 179.041 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' A' ' 9' ' ' TYR . 6.6 mmm180 -103.26 -27.37 12.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.346 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.461 HG22 ' N ' ' A' ' 14' ' ' ARG . 30.3 m -94.66 -30.43 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.25 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.461 ' N ' HG22 ' A' ' 13' ' ' VAL . 1.9 mtt-85 -144.97 26.02 1.39 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.538 ' HA3' ' O ' ' A' ' 11' ' ' CYS . . . -71.13 108.92 2.64 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.681 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.71 -82.27 0.37 Allowed Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.225 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -130.57 174.06 10.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.794 0.331 . . . . 0.0 110.787 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 97.5 m -131.11 142.83 50.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.974 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.22 158.51 15.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.4 t -83.55 -48.15 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.491 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -111.77 -55.3 2.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.123 -179.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.556 ' HA ' ' HZ2' ' A' ' 39' ' ' LYS . 1.6 p -142.48 150.64 40.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.17 163.65 1.53 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.014 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.515 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 9.2 mt -93.21 141.19 23.7 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.046 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -60.53 -16.23 41.2 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.652 2.234 . . . . 0.0 112.553 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.3 mmtt -91.86 6.91 44.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.984 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.515 ' CG ' ' HB2' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -149.86 143.82 25.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.845 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.551 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 11.0 pt-20 -94.19 157.18 16.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.364 179.541 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.551 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 5.0 tt0 -89.47 140.64 29.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.04 0.448 . . . . 0.0 111.143 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -120.43 -22.4 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.14 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -166.6 -159.16 11.9 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.795 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -120.52 114.83 22.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 110.702 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.1 t -68.06 -9.04 43.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.944 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.439 ' OG ' ' HB2' ' A' ' 38' ' ' ARG . 0.1 OUTLIER -163.84 -83.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.73 179.85 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.7 p -133.12 -159.27 0.95 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 36' ' ' ARG . 12.0 ptt-85 -61.96 -20.66 64.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.024 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.77 -69.97 1.27 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.788 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.589 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 12.8 mtt85 -89.3 162.91 15.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.841 0.353 . . . . 0.0 111.084 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.589 ' HG3' ' C ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -151.17 175.52 12.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.695 -179.908 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.551 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 1.8 m -107.73 121.2 44.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.27 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.551 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -115.88 141.23 48.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.258 -179.91 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.1 ppt_? -120.84 125.21 46.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.342 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -54.31 133.44 45.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.244 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.24 154.46 50.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.698 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.3 -0.857 . . . . 0.0 110.961 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.5 tt -149.28 143.88 18.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.878 0.37 . . . . 0.0 111.165 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mt -87.25 122.83 39.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.299 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -122.9 -22.73 5.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.761 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.426 HG21 ' HG3' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -137.0 146.4 45.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.948 179.881 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.434 ' HB2' ' CE1' ' A' ' 9' ' ' TYR . 0.9 OUTLIER -107.85 40.71 1.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.027 -179.871 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.426 ' HG3' HG21 ' A' ' 5' ' ' THR . 13.8 mt-30 -64.74 -3.3 3.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.2 mmtm -82.53 -17.45 44.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.782 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.434 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 5.6 p90 -156.19 32.93 0.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.954 179.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.58 -36.8 68.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.717 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.436 ' O ' ' HA3' ' A' ' 15' ' ' GLY . 15.0 t -80.82 15.87 1.63 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.436 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -114.28 -38.65 4.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.726 179.834 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.5 m -81.76 -29.48 10.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.166 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.8 mtt85 -144.65 19.81 1.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.436 ' HA3' ' O ' ' A' ' 11' ' ' CYS . . . -62.16 126.07 37.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.537 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -104.29 -79.68 1.34 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.513 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' A' ' 17' ' ' ARG . 3.7 ptp180 -133.02 175.96 8.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.806 0.336 . . . . 0.0 111.09 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 68.9 m -128.36 145.02 51.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.758 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.12 176.34 5.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.224 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.3 t -84.95 -49.43 15.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.467 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.8 tt -130.76 -51.94 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.81 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -123.18 154.0 39.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.762 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.43 ' H ' ' HZ2' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -53.84 169.25 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.327 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.533 ' N ' HD21 ' A' ' 24' ' ' LEU . 4.5 mm? -89.2 152.36 47.83 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.588 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -73.56 23.66 0.33 Allowed 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.66 2.24 . . . . 0.0 113.114 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.411 ' H ' ' C ' ' A' ' 24' ' ' LEU . 1.8 mtpt -146.91 22.26 1.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.939 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.474 ' HA ' ' HD3' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -157.81 162.7 38.46 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.075 0.464 . . . . 0.0 111.801 -179.648 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.545 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 0.0 OUTLIER -110.75 158.94 18.09 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.818 178.867 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.462 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -88.59 140.99 28.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.062 0.458 . . . . 0.0 111.519 -179.364 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.28 -25.62 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.652 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.451 ' O ' ' HB2' ' A' ' 40' ' ' CYS . . . 169.94 158.91 14.57 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.537 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.18 132.45 53.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.805 0.336 . . . . 0.0 110.59 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 54.0 t -83.09 -39.67 20.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.389 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.6 m -138.28 -87.64 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.036 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.0 p -108.15 -160.94 0.75 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.16 18.34 1.41 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -113.35 -35.78 1.56 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.513 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.593 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 9.6 mtm-85 -110.33 166.12 11.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.712 0.291 . . . . 0.0 110.807 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.593 ' HG3' ' C ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -149.8 173.19 14.01 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.854 -179.791 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 19.1 m -107.46 120.22 41.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.396 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.545 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -116.78 135.65 53.58 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.087 0.47 . . . . 0.0 111.175 179.258 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.404 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 0.6 OUTLIER -110.56 116.15 30.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.453 -179.83 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.45 ' HA ' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -47.77 144.78 3.16 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.952 0.406 . . . . 0.0 111.397 -179.495 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.474 ' HD3' ' HA ' ' A' ' 27' ' ' GLU . 11.9 mmtt -70.16 118.94 13.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.885 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.135 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.415 ' H ' HG13 ' A' ' 2' ' ' ILE . 1.2 mt -78.32 124.63 37.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.845 0.355 . . . . 0.0 111.083 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.476 HG13 ' H ' ' A' ' 4' ' ' ASN . 0.5 OUTLIER -76.36 158.71 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.272 -179.892 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.476 ' H ' HG13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -131.84 -65.31 0.75 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.898 179.887 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.42 -174.73 2.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.084 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.434 HD13 ' O ' ' A' ' 6' ' ' LEU . 1.1 pp -119.36 43.15 2.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.017 0.436 . . . . 0.0 111.129 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -66.17 -3.29 5.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.108 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.36 -12.69 54.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.386 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.42 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -155.48 21.36 0.41 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.335 179.828 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.471 ' O ' HG21 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -59.63 -49.52 77.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.836 0.35 . . . . 0.0 110.601 179.609 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.8 t -81.85 3.01 27.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.108 0.48 . . . . 0.0 110.226 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.4 ttm-85 -93.33 -34.56 13.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.784 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.471 HG21 ' O ' ' A' ' 10' ' ' TYR . 30.0 m -73.82 -31.83 32.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.157 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.521 ' HG3' ' H ' ' A' ' 15' ' ' GLY . 0.0 OUTLIER -161.81 -62.02 0.05 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.822 179.662 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.521 ' H ' ' HG3' ' A' ' 14' ' ' ARG . . . 56.7 -137.29 48.66 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.516 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -167.82 -100.73 0.14 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.337 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.16 151.02 36.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.707 0.289 . . . . 0.0 110.563 179.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 57.4 m -108.11 137.65 45.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.013 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.35 153.87 18.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.768 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 37.8 t -82.51 -33.89 11.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.266 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -128.46 -62.52 1.03 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.69 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.9 146.69 51.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.478 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.441 ' H ' ' HZ1' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -56.41 173.7 0.17 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.084 -179.745 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.426 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 4.5 mm? -91.87 145.82 31.76 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.856 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -66.58 -14.74 45.23 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.618 2.212 . . . . 0.0 112.652 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.98 -2.02 53.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.188 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.426 ' CG ' ' HB2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -138.04 146.08 42.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.117 0.484 . . . . 0.0 111.573 -179.737 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 15.7 tp10 -91.84 156.93 17.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.186 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.575 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 2.6 tt0 -89.0 133.88 34.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.004 0.43 . . . . 0.0 110.934 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.44 HD13 ' HB2' ' A' ' 42' ' ' ARG . 0.4 OUTLIER -118.55 -19.41 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.603 -179.321 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -169.18 -161.98 20.54 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.472 -0.87 . . . . 0.0 113.053 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -115.94 93.79 4.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.889 0.376 . . . . 0.0 110.311 179.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -47.26 -35.05 7.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.374 -179.67 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.426 ' HB2' ' HB2' ' A' ' 38' ' ' ARG . 62.2 m -124.05 -169.95 2.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.843 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 76.3 p -64.68 -75.87 0.08 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.406 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -136.16 131.67 34.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.734 0.302 . . . . 0.0 110.691 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 117.95 -58.81 0.5 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.49 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.538 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 0.4 OUTLIER -84.57 170.1 13.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.753 0.311 . . . . 0.0 110.89 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.538 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -150.31 174.08 13.25 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -179.871 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.575 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 9.1 t -108.44 125.69 52.04 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.916 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.425 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 0.8 OUTLIER -113.47 143.03 45.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.244 -179.695 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.44 ' HB2' HD13 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -128.76 122.76 31.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.146 179.862 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -48.46 128.72 15.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.18 -179.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -63.11 166.64 5.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.129 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.98 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.228 0 N-CA-C 112.585 -0.206 . . . . 0.0 112.585 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.455 HG23 HD11 ' A' ' 2' ' ' ILE . 21.8 mm -66.98 91.74 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.799 0.333 . . . . 0.0 111.176 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.611 HD12 ' HB3' ' A' ' 6' ' ' LEU . 1.1 pp -99.2 -177.44 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.098 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.39 -170.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.25 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.06 111.88 1.67 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.051 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.611 ' HB3' HD12 ' A' ' 3' ' ' ILE . 0.6 OUTLIER -93.85 58.24 2.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.966 -179.923 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.49 ' H ' ' HG3' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -66.33 -7.82 21.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.748 179.877 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.07 -19.13 40.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.798 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.419 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -154.86 31.64 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.772 179.667 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.469 ' HA ' HD11 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -66.58 -46.08 77.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.554 179.752 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 p -83.61 13.15 4.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.43 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.41 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -107.02 -28.21 10.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.691 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.489 HG21 ' HG2' ' A' ' 14' ' ' ARG . 28.8 m -85.91 -21.05 7.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.487 -179.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.489 ' HG2' HG21 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -172.57 33.11 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.885 0.374 . . . . 0.0 110.755 -179.781 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.18 -151.62 1.3 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.797 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -143.05 -89.56 0.11 Allowed Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.581 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.03 162.74 26.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.778 0.323 . . . . 0.0 110.822 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.8 m -117.06 139.35 50.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -99.34 168.73 9.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.95 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.1 t -82.98 -44.36 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.402 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.7 mt -126.42 -77.94 0.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.0 p -102.59 157.49 16.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.647 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.18 170.33 0.34 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.266 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.512 ' HB2' ' HG3' ' A' ' 27' ' ' GLU . 4.1 mm? -88.11 148.83 43.91 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.352 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -71.25 23.57 0.22 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.022 2.481 . . . . 0.0 113.395 -178.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.43 ' H ' ' C ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -147.13 16.29 1.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.637 0.256 . . . . 0.0 111.134 179.713 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.512 ' HG3' ' HB2' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -151.79 162.22 41.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.158 0.504 . . . . 0.0 111.806 -179.811 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.571 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 8.9 tp10 -107.55 160.53 15.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.677 179.277 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.531 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 0.9 OUTLIER -87.71 134.93 33.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.054 0.454 . . . . 0.0 110.999 -179.648 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.469 HD13 ' HB3' ' A' ' 42' ' ' ARG . 0.4 OUTLIER -120.27 -22.21 3.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.376 -179.405 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -166.36 -162.5 17.98 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.967 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.85 106.45 9.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.88 0.372 . . . . 0.0 110.602 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -57.01 -24.65 55.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.968 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.423 ' HG ' ' HB2' ' A' ' 38' ' ' ARG . 2.3 m -125.08 176.86 6.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.525 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.48 -44.65 82.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.137 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.6 ptm85 -165.25 107.8 0.82 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.784 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 150.68 -54.94 0.47 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.18 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.535 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 21.7 mtm180 -97.41 177.42 5.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.595 0.236 . . . . 0.0 110.559 179.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.535 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -150.08 170.18 19.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.888 0.375 . . . . 0.0 110.858 -179.853 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.531 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 1.6 m -113.22 124.81 53.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.544 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.571 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 2.7 m -122.11 128.25 51.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.029 0.442 . . . . 0.0 111.944 -179.45 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.469 ' HB3' HD13 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -111.68 131.25 55.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.753 178.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -44.39 120.1 2.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.947 0.403 . . . . 0.0 111.544 -179.094 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.2 167.63 13.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.787 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.474 ' O ' HD12 ' A' ' 6' ' ' LEU . 1.2 pp . . . . . 0 C--O 1.23 0.058 0 CA-C-O 121.046 0.451 . . . . 0.0 110.814 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.45 ' H ' ' HG3' ' A' ' 7' ' ' GLN . 2.9 mt-30 -64.84 -2.91 2.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.975 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.06 -15.85 52.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.404 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -154.78 21.4 0.45 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.95 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.412 ' HB2' ' HA ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -61.95 -31.23 71.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.021 0.439 . . . . 0.0 110.242 179.6 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.9 t -93.57 -8.2 41.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.137 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.443 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 1.8 tpp85 -94.74 -20.25 19.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.596 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.1 m -88.28 -32.07 5.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.548 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.78 36.19 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.896 0.379 . . . . 0.0 110.776 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.28 -146.55 0.15 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.732 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -149.25 -97.78 0.18 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.611 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.453 HH22 HH21 ' A' ' 43' ' ' ARG . 1.8 ptp180 -110.35 174.5 5.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.816 0.341 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.8 m -129.84 139.36 51.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.081 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.516 ' O ' ' HG2' ' A' ' 38' ' ' ARG . . . -100.09 158.69 15.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.529 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.0 t -82.59 -38.52 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.309 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.62 -68.27 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.733 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.5 p -112.81 148.89 33.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.343 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.77 173.93 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.104 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.484 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 4.6 mm? -92.11 140.84 24.67 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.552 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 24' ' ' LEU . 36.2 Cg_exo -60.26 -19.33 57.03 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.698 2.265 . . . . 0.0 112.957 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -93.23 7.58 43.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.543 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.484 ' CG ' ' HB2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -150.15 153.95 37.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.057 0.456 . . . . 0.0 111.864 -179.762 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.556 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 7.3 pt-20 -100.19 164.41 11.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.035 179.306 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.623 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 1.6 tt0 -91.16 137.79 32.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.011 0.434 . . . . 0.0 111.078 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -119.22 -22.38 3.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.385 -179.564 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 179.06 -177.54 48.49 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.431 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -83.56 130.16 34.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.788 0.328 . . . . 0.0 110.591 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.467 ' HB2' ' O ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -97.48 9.78 41.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.313 -179.571 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.412 ' HB2' ' NE ' ' A' ' 38' ' ' ARG . 5.0 t -151.78 -97.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.833 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.41 ' H ' ' HB3' ' A' ' 34' ' ' SER . 1.4 t -171.59 -27.51 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.623 0.249 . . . . 0.0 111.46 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -166.73 108.56 0.69 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.526 -179.865 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.12 -6.94 40.32 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 120.765 -0.731 . . . . 0.0 113.467 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.581 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 47.0 mtp180 -129.39 164.56 23.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.892 0.377 . . . . 0.0 111.445 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.581 ' HG3' ' C ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -150.73 174.97 12.42 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.52 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.623 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 49.8 t -112.45 136.25 52.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.206 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.556 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 1.7 m -123.72 140.38 53.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.43 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.407 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -124.62 120.22 31.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.294 179.384 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.453 HH21 HH22 ' A' ' 17' ' ' ARG . 0.2 OUTLIER -50.24 133.12 24.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.449 -179.213 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.828 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 9' ' ' TYR . 1.1 pp . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.954 0.407 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -64.39 -4.41 3.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -82.39 -14.94 54.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.423 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 6' ' ' LEU . 19.4 p90 -155.92 28.32 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -73.2 -35.74 66.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.954 0.407 . . . . 0.0 110.303 179.471 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.579 ' SG ' ' HA3' ' A' ' 15' ' ' GLY . 44.2 t -81.99 -4.14 56.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.344 0.593 . . . . 0.0 109.811 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.92 -30.76 16.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.714 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.928 HG23 ' HG2' ' A' ' 14' ' ' ARG . 28.1 m -84.91 -29.36 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.333 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.928 ' HG2' HG23 ' A' ' 13' ' ' VAL . 3.5 ptt180 -168.5 52.86 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.925 0.393 . . . . 0.0 110.891 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.579 ' HA3' ' SG ' ' A' ' 11' ' ' CYS . . . -86.2 122.87 6.21 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.733 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.74 -82.41 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.113 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -131.78 160.47 35.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.657 0.265 . . . . 0.0 110.401 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.3 m -122.25 135.5 54.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.212 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.501 ' O ' ' HG2' ' A' ' 38' ' ' ARG . . . -99.75 154.4 18.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.551 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.2 t -83.12 -27.71 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.657 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.64 -80.18 0.59 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.87 0.367 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.7 m -131.11 163.55 27.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.825 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -48.45 162.63 0.09 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.143 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.439 ' HB2' ' HG3' ' A' ' 27' ' ' GLU . 4.3 mm? -88.37 149.85 45.53 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.441 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -71.21 24.48 0.22 Allowed 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.875 2.384 . . . . 0.0 112.911 -179.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.428 ' H ' ' C ' ' A' ' 24' ' ' LEU . 4.0 mmtm -146.51 20.99 1.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.738 0.304 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.439 ' HG3' ' HB2' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -157.21 164.75 37.41 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.009 0.433 . . . . 0.0 111.687 -179.83 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.499 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 3.1 pt-20 -110.03 161.6 15.36 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.742 178.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.501 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 1.0 OUTLIER -88.04 142.17 28.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.045 0.45 . . . . 0.0 111.543 -179.214 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -118.47 -22.94 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.019 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 179.79 -151.22 9.83 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.522 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -122.19 115.32 22.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.761 0.315 . . . . 0.0 110.701 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.7 t -75.22 -7.85 55.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.053 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -160.98 178.2 9.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.97 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.4 p -115.98 -1.3 12.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.321 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' ' 36' ' ' ARG . 33.5 mtt-85 -81.3 -3.27 52.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.965 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 115.04 46.39 0.59 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.48 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.519 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 4.7 mtt85 -124.78 176.97 6.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.681 0.277 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.519 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -150.46 161.23 42.92 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.802 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.501 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 4.0 t -108.0 131.5 54.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.052 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.499 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -123.55 143.91 49.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.015 0.436 . . . . 0.0 111.598 -179.857 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -128.23 124.54 36.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.024 179.384 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.417 ' N ' ' HB3' ' A' ' 27' ' ' GLU . 0.7 OUTLIER -39.2 131.19 1.55 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.821 -179.036 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.21 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.133 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.424 ' HB2' ' CE1' ' A' ' 9' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.102 0.477 . . . . 0.0 110.72 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -65.03 -1.31 2.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.781 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -83.71 -19.1 35.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.519 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.424 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 3.6 p90 -156.49 36.17 0.32 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.272 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.8 -38.64 67.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.822 0.344 . . . . 0.0 110.768 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 33.1 t -83.58 12.99 4.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.347 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -112.01 -31.63 6.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.007 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.533 HG23 ' HG3' ' A' ' 14' ' ' ARG . 18.7 m -83.4 -37.79 13.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.573 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.533 ' HG3' HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -152.08 26.73 0.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.001 -179.78 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.96 116.48 8.59 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.634 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.2 -79.09 0.21 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -131.96 172.24 12.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.794 0.33 . . . . 0.0 110.98 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.495 ' SG ' ' HD2' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -133.65 142.4 48.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.5 179.786 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -103.5 168.89 8.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.998 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.1 t -82.79 -43.31 18.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.308 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.9 tp -120.75 -70.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.799 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.36 150.59 38.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.766 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.6 174.74 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.98 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.54 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 79.3 mt -92.61 154.12 42.42 Favored Pre-proline 0 C--N 1.332 -0.193 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.023 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.52 -19.0 33.06 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.553 2.169 . . . . 0.0 112.999 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.24 11.02 33.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.56 -179.532 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.54 ' CG ' ' HB2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -151.13 145.42 25.44 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.904 0.383 . . . . 0.0 111.631 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.556 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 10.3 pt-20 -93.92 163.8 13.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.469 179.594 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.597 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 1.1 tm0? -90.76 136.76 32.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.902 0.382 . . . . 0.0 111.236 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -121.61 -19.21 4.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.333 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -164.95 -167.69 25.92 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.962 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -110.45 116.86 32.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.874 0.368 . . . . 0.0 110.858 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.463 ' HB3' ' HB3' ' A' ' 38' ' ' ARG . 3.4 t -70.39 -30.58 67.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.006 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.625 ' HB3' ' HE ' ' A' ' 38' ' ' ARG . 0.8 OUTLIER -167.08 154.24 8.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.8 p -86.32 11.59 11.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.263 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.0 mtm105 -98.09 -15.62 19.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.982 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 134.37 42.32 0.14 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.626 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.625 ' HE ' ' HB3' ' A' ' 34' ' ' SER . 67.6 mtm-85 -128.83 167.17 17.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.733 0.302 . . . . 0.0 110.668 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.496 ' HB3' ' HG3' ' A' ' 29' ' ' GLN . 2.8 mptp? -150.41 166.95 28.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.477 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.597 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 2.2 t -105.73 123.44 47.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.556 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.8 OUTLIER -111.76 144.45 41.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.04 0.448 . . . . 0.0 111.534 -179.623 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.405 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 4.6 tmm_? -125.46 115.12 19.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.005 179.535 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.42 ' N ' ' HB3' ' A' ' 27' ' ' GLU . 2.7 ttt180 -54.02 130.56 38.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.98 -179.446 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.205 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.444 ' HB2' ' CE2' ' A' ' 9' ' ' TYR . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.092 0.472 . . . . 0.0 110.991 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.77 -4.81 9.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.555 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.1 mmtp -83.76 -17.73 40.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.144 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.444 ' CE2' ' HB2' ' A' ' 6' ' ' LEU . 4.8 p90 -155.65 30.26 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.414 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.44 -13.99 61.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.94 0.4 . . . . 0.0 110.419 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.613 ' SG ' ' HA3' ' A' ' 15' ' ' GLY . 44.9 t -105.75 -10.1 16.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.698 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -91.62 -6.46 52.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.0 m -103.06 -30.4 2.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.425 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -168.15 25.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.467 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.613 ' HA3' ' SG ' ' A' ' 11' ' ' CYS . . . -58.54 151.14 33.17 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.877 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.97 -100.45 1.0 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.612 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -109.71 179.63 4.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.738 0.304 . . . . 0.0 110.824 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.4 m -128.11 139.22 52.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.184 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.25 161.06 13.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.375 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 23.8 t -81.62 -41.06 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.9 0.381 . . . . 0.0 111.287 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.71 -60.9 0.86 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.374 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.6 t -117.61 144.65 44.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.398 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.66 173.49 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.151 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.516 ' HB2' ' HG3' ' A' ' 27' ' ' GLU . 4.6 mm? -91.02 146.66 34.1 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.784 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 24' ' ' LEU . 24.7 Cg_exo -63.67 -20.28 68.79 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.784 2.323 . . . . 0.0 113.118 -179.138 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.04 2.85 56.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.624 -179.321 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.516 ' HG3' ' HB2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -145.09 139.35 27.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.993 0.425 . . . . 0.0 111.476 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.521 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -86.89 165.67 15.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.347 179.621 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.558 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 0.6 OUTLIER -90.69 136.56 32.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.966 0.413 . . . . 0.0 110.885 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.404 HG13 ' HB3' ' A' ' 40' ' ' CYS . 1.1 pt -115.36 -22.94 4.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.99 -179.527 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 178.87 -149.12 8.66 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.611 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -109.58 99.29 8.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.766 0.317 . . . . 0.0 110.248 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -51.48 -83.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.16 -179.484 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.7 t -83.46 -163.28 0.73 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.838 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.6 t -60.33 170.82 1.2 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.187 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -48.73 109.52 0.26 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.125 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 147.48 -25.59 1.52 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.917 -0.658 . . . . 0.0 112.362 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.513 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 34.0 mtt180 -115.83 -175.21 2.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.663 0.268 . . . . 0.0 110.707 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.513 ' HG3' ' C ' ' A' ' 38' ' ' ARG . 0.1 OUTLIER -148.14 164.58 33.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.734 -179.809 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.558 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 9.1 t -107.46 131.81 53.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.435 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.521 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 2.9 m -113.87 144.66 42.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.316 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -121.8 110.54 16.03 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.031 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.438 ' N ' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -59.43 132.27 53.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.181 -179.311 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.818 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.406 ' O ' HD12 ' A' ' 6' ' ' LEU . 1.0 OUTLIER . . . . . 0 CA--C 1.526 0.047 0 CA-C-O 121.064 0.459 . . . . 0.0 110.805 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.544 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 5.0 mt-30 -66.38 -4.27 7.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.28 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.87 -12.4 57.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.895 0.379 . . . . 0.0 110.74 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -155.62 17.74 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.537 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.544 ' HB2' ' HA ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -60.47 -33.17 72.19 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.401 179.724 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.599 ' HB2' HG13 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -90.57 -11.46 40.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.891 179.407 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.436 ' HB2' HH11 ' A' ' 12' ' ' ARG . 0.0 OUTLIER -83.84 -23.15 31.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.505 179.516 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.632 HG23 ' HG3' ' A' ' 14' ' ' ARG . 5.8 m -90.77 -44.02 14.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.105 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.632 ' HG3' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -152.79 61.78 0.79 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.794 179.856 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -113.25 -116.6 3.35 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.581 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 179.25 -98.88 0.12 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.674 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -114.42 176.17 5.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.756 0.313 . . . . 0.0 110.796 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.8 m -129.19 136.27 49.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.16 157.51 16.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.816 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.454 ' HB ' HD12 ' A' ' 21' ' ' LEU . 3.9 t -83.0 -28.04 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.459 -179.593 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.454 HD12 ' HB ' ' A' ' 20' ' ' VAL . 5.6 mp -129.88 -80.67 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.056 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.1 t -110.62 155.36 22.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.987 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.22 172.65 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.147 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.494 ' HB2' ' HG3' ' A' ' 27' ' ' GLU . 3.6 mm? -91.59 150.37 40.95 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.401 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.405 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 69.7 Cg_endo -74.42 27.53 0.34 Allowed 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.536 2.157 . . . . 0.0 112.97 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 25' ' ' PRO . 25.0 mttt -146.86 11.05 1.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.055 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.494 ' HG3' ' HB2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -148.69 164.14 35.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.08 0.467 . . . . 0.0 111.822 -179.523 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.606 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 8.2 pt-20 -108.23 161.68 14.78 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.619 -0.718 . . . . 0.0 109.911 179.202 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.519 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -90.28 139.51 30.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.082 0.468 . . . . 0.0 111.422 -179.57 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.599 HG13 ' HB2' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -116.88 -28.16 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.441 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 172.17 171.3 36.98 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.427 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.87 126.69 30.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.745 0.307 . . . . 0.0 110.945 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.4 t -89.22 11.51 18.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -159.54 -166.57 1.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 t -117.61 -18.62 9.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.194 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -72.78 -79.97 0.07 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.95 57.36 0.22 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.548 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.571 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 27.3 mtt180 -120.06 -176.84 3.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 110.933 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.571 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -149.67 160.1 43.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.846 -179.711 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.519 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 0.5 OUTLIER -113.25 130.84 56.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.631 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.606 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -121.27 136.57 54.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.128 0.489 . . . . 0.0 111.914 -179.695 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.424 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -112.86 117.14 31.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.266 179.74 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.425 ' N ' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -47.74 136.71 10.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.207 -179.618 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.164 -179.784 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.433 ' O ' HD12 ' A' ' 6' ' ' LEU . 1.1 pp . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.916 0.388 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.473 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -66.26 -2.84 4.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 179.758 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.7 mmtm -82.31 -15.45 52.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.828 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.431 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -154.91 25.37 0.44 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.626 179.584 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.473 ' HB2' ' HA ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -60.37 -29.83 69.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.635 179.755 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.486 ' HA ' ' HA3' ' A' ' 15' ' ' GLY . 0.5 OUTLIER -85.0 -20.52 30.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.68 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -79.14 -45.35 20.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.709 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 9' ' ' TYR . 4.5 m -64.71 -36.0 76.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.001 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.566 ' HG3' ' H ' ' A' ' 15' ' ' GLY . 0.3 OUTLIER -165.22 -72.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 179.809 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.566 ' H ' ' HG3' ' A' ' 14' ' ' ARG . . . 56.52 -130.88 50.69 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.743 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -167.8 -88.63 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.182 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -127.55 151.62 48.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.706 0.289 . . . . 0.0 110.266 179.444 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.1 m -114.27 137.83 51.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.801 0.334 . . . . 0.0 111.435 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.5 156.73 16.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.578 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.0 t -82.54 -32.11 10.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.587 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.454 HD22 ' HA ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -131.93 -69.56 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.818 0.342 . . . . 0.0 110.837 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.0 t -117.92 152.61 35.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.796 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.7 171.37 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.039 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.506 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.8 mm? -92.24 145.3 30.46 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.045 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.98 27.37 0.25 Allowed 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.515 2.143 . . . . 0.0 113.063 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.416 ' H ' ' C ' ' A' ' 24' ' ' LEU . 13.5 mttt -146.83 15.0 1.2 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.936 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.588 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 0.0 OUTLIER -147.78 153.77 39.64 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.095 0.474 . . . . 0.0 111.527 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.5 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 4.4 tp10 -99.72 151.57 21.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.762 179.126 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.455 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 0.6 OUTLIER -88.7 143.05 27.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.067 0.46 . . . . 0.0 111.26 -179.359 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -121.95 -21.92 3.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.097 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -174.86 -179.08 45.21 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.459 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.43 133.72 35.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.706 0.288 . . . . 0.0 110.274 179.636 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 8.4 t -84.56 -42.29 15.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.213 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.754 ' HB3' ' HE ' ' A' ' 38' ' ' ARG . 39.9 p -106.7 -77.6 0.59 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.994 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -169.43 -33.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.154 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.454 HH11 ' HD3' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -166.9 -10.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.16 -179.8 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.56 -15.47 22.79 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.835 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.754 ' HE ' ' HB3' ' A' ' 34' ' ' SER . 61.7 mtm180 -132.49 168.68 17.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.793 0.33 . . . . 0.0 111.075 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.543 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -151.02 173.0 14.83 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.561 -179.859 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 17.1 t -114.96 112.1 22.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.697 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.588 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 0.5 OUTLIER -117.65 133.15 56.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.104 0.478 . . . . 0.0 111.845 -179.571 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.507 ' HB2' HH11 ' A' ' 42' ' ' ARG . 0.0 OUTLIER -114.98 130.91 57.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.996 179.071 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -41.63 117.79 0.98 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.308 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.062 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.456 ' HB2' ' CE1' ' A' ' 9' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.005 0.431 . . . . 0.0 110.787 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.432 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 18.1 mt-30 -64.59 -3.79 3.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.007 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -81.91 -16.29 51.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.829 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.456 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -154.56 28.06 0.44 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.674 179.629 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.432 ' HB2' ' HA ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -65.53 -26.32 67.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.348 179.544 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.413 ' SG ' ' HA3' ' A' ' 15' ' ' GLY . 45.8 t -87.19 0.54 55.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.426 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -97.3 -33.07 11.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.707 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.416 HG23 ' HG2' ' A' ' 14' ' ' ARG . 16.5 m -83.66 -35.01 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.314 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.416 ' HG2' HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -156.64 46.79 0.44 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.077 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.413 ' HA3' ' SG ' ' A' ' 11' ' ' CYS . . . -83.52 112.95 3.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.576 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.85 -76.78 0.24 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.446 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 -135.22 176.92 8.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.791 0.329 . . . . 0.0 110.867 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 88.2 m -131.93 138.69 48.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.712 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.85 144.06 28.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.9 t -82.52 -19.55 10.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.371 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.5 mp -125.37 -66.68 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.805 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 91.5 p -147.92 155.33 41.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -48.75 152.09 1.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.212 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.557 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 11.8 mt -92.14 137.03 25.18 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.484 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 24' ' ' LEU . 62.6 Cg_exo -53.43 -17.54 9.4 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.742 2.294 . . . . 0.0 112.995 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -95.1 19.69 10.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.389 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.557 ' CG ' ' HB2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -154.99 160.02 40.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.152 0.501 . . . . 0.0 111.877 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.526 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 11.6 tp10 -109.25 149.87 28.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.806 179.223 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.501 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 1.1 tm0? -86.65 139.88 30.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.085 0.469 . . . . 0.0 111.074 -179.327 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.401 ' CD1' ' HA2' ' A' ' 15' ' ' GLY . 0.6 OUTLIER -119.3 -23.69 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.105 -179.506 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -172.28 -164.38 27.7 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.405 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 mtmm -111.71 111.21 22.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.862 0.363 . . . . 0.0 110.999 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.9 t -65.94 -18.56 65.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.764 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.7 t -153.11 155.11 36.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.954 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.6 t -92.55 17.44 10.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.236 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -107.31 -74.42 0.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.019 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -159.13 49.97 0.4 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.478 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.48 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 22.7 mtt180 -137.79 169.88 17.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.763 0.316 . . . . 0.0 110.723 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -150.21 171.19 17.33 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.736 -179.819 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.501 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 8.7 t -111.94 117.87 33.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.927 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.526 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -119.32 144.4 46.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.014 0.435 . . . . 0.0 111.409 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.67 127.6 45.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.447 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.89 142.1 0.52 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.106 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.682 ' H ' ' HE2' ' A' ' 44' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.249 0 CA-C-O 121.274 0.559 . . . . 0.0 110.996 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.452 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 121.063 0.459 . . . . 0.0 111.068 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.545 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -130.9 -14.83 3.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.217 179.637 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.58 -4.65 57.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.188 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.427 ' CE2' ' HB2' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -153.49 16.61 0.53 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.601 -179.723 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.545 ' HB2' ' HA ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -59.05 -33.03 70.31 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.355 179.693 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.527 ' SG ' ' HA3' ' A' ' 15' ' ' GLY . 0.1 OUTLIER -87.66 -11.15 49.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.148 179.417 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -87.05 -24.87 24.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.917 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.9 m -88.11 -35.72 8.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.756 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -175.09 46.69 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.823 0.344 . . . . 0.0 111.087 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.527 ' HA3' ' SG ' ' A' ' 11' ' ' CYS . . . -72.19 -128.66 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.684 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -173.71 -99.44 0.12 Allowed Glycine 0 N--CA 1.453 -0.19 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.594 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.412 ' HD2' HD23 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -113.35 179.76 3.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.719 0.295 . . . . 0.0 110.718 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -134.24 146.18 49.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.05 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.6 154.35 21.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 38.6 t -82.68 -38.18 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.826 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.23 -63.94 0.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.85 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.61 145.25 45.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.797 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.29 172.19 0.34 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.452 ' HB2' ' HG3' ' A' ' 27' ' ' GLU . 4.5 mm? -93.27 138.93 22.9 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.529 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.89 -17.2 35.7 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.525 2.15 . . . . 0.0 112.684 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -94.16 11.64 29.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.172 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.452 ' HG3' ' HB2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -156.4 155.59 32.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.006 0.432 . . . . 0.0 111.477 -179.805 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.627 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 0.2 OUTLIER -103.42 163.43 12.28 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.106 179.243 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.619 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -88.24 134.8 33.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.999 0.428 . . . . 0.0 111.329 -179.645 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.427 HG23 ' OE2' ' A' ' 28' ' ' GLU . 0.4 OUTLIER -124.55 -19.87 3.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.457 -179.749 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -158.54 -173.44 26.95 Favored Glycine 0 N--CA 1.453 -0.178 0 C-N-CA 120.238 -0.982 . . . . 0.0 113.214 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -114.09 113.02 24.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.869 0.366 . . . . 0.0 110.491 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.2 t -62.7 -17.33 60.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.36 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.414 ' HB3' ' H ' ' A' ' 35' ' ' THR . 5.6 t -139.53 -98.18 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.99 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.414 ' H ' ' HB3' ' A' ' 34' ' ' SER . 0.1 OUTLIER -136.16 -43.07 0.64 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.845 0.355 . . . . 0.0 110.996 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.405 ' H ' ' H ' ' A' ' 37' ' ' GLY . 1.2 ptp180 -161.93 -12.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.831 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.405 ' H ' ' H ' ' A' ' 36' ' ' ARG . . . -81.36 -60.47 2.23 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.416 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.57 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 36.4 mtm180 -94.32 173.24 7.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.715 0.293 . . . . 0.0 110.796 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.57 ' HG3' ' C ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -150.51 173.25 14.29 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.718 -179.885 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.619 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -112.62 130.97 55.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.638 179.738 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.627 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 1.3 m -122.93 133.51 54.39 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -179.277 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.412 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 4.0 ppt_? -111.09 122.7 48.56 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.191 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.1 ttp85 -53.57 141.22 26.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.28 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.793 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.48 ' O ' HD12 ' A' ' 6' ' ' LEU . 1.2 pp . . . . . 0 CA--C 1.527 0.081 0 CA-C-O 120.799 0.333 . . . . 0.0 111.08 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.587 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -66.08 -2.05 3.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.866 179.562 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.36 -13.28 57.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.092 0.472 . . . . 0.0 110.392 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.496 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -154.33 13.28 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.527 179.401 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.587 ' HB2' ' HA ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -60.49 -45.78 92.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.04 179.367 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -80.15 -5.11 55.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.775 178.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.496 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 5.7 ttm180 -82.98 -44.3 15.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.713 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.816 HG23 ' HG2' ' A' ' 14' ' ' ARG . 34.7 m -64.28 -30.29 49.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.91 0.386 . . . . 0.0 110.806 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.816 ' HG2' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -144.35 -71.33 0.28 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.51 179.377 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 51.23 90.2 0.01 OUTLIER Glycine 0 C--N 1.332 0.319 0 C-N-CA 121.208 -0.52 . . . . 0.0 112.806 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.09 -85.79 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.612 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -126.76 179.24 5.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.668 0.271 . . . . 0.0 110.503 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 87.0 m -134.0 139.56 46.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 111.237 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.99 172.4 6.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.773 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.478 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 15.2 t -83.41 -47.6 18.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.235 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.4 tp -135.13 -49.72 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.117 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.0 p -117.99 140.72 49.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.78 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.96 176.39 0.21 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.242 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.457 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 4.3 mm? -92.05 149.15 38.25 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.868 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.61 27.07 0.39 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.747 2.298 . . . . 0.0 112.645 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -142.32 2.15 1.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.445 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.457 ' CG ' ' HB2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -143.07 144.86 32.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.18 -179.816 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.615 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 7.2 pt-20 -92.64 161.77 14.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.25 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.595 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 16.9 tt0 -91.18 141.82 28.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.994 0.426 . . . . 0.0 111.672 -179.329 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.452 HG13 ' HB2' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -121.44 -22.08 3.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.171 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -175.18 -161.01 24.05 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.788 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -111.15 118.55 36.28 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.855 0.359 . . . . 0.0 110.364 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.9 t -70.56 -48.22 56.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.348 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.08 152.13 46.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.983 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.7 t -74.62 -15.74 60.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.174 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.9 mtt180 -64.99 -65.71 0.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.34 45.91 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.496 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.558 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 20.4 mtm-85 -116.77 179.06 4.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.737 0.303 . . . . 0.0 110.744 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.558 ' HG3' ' C ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -149.81 166.91 28.05 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.953 -179.704 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.595 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 0.2 OUTLIER -108.28 119.88 40.76 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.245 179.88 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.615 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -116.67 129.66 56.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.525 -179.869 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.442 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -115.7 130.28 56.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.415 179.482 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -50.02 133.72 22.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.392 -179.379 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.41 ' HG3' ' HA ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.475 ' HB2' ' CE2' ' A' ' 9' ' ' TYR . 1.0 OUTLIER . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 121.102 0.477 . . . . 0.0 110.999 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -64.55 -4.74 4.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.076 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -84.17 -13.41 52.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.235 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.475 ' CE2' ' HB2' ' A' ' 6' ' ' LEU . 4.8 p90 -155.14 29.86 0.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.939 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.29 -35.0 71.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.503 179.68 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.721 ' HA ' ' HA3' ' A' ' 15' ' ' GLY . 5.8 t -81.63 7.24 12.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.433 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.488 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -107.57 -24.25 11.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.708 -179.719 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.552 HG23 ' HG2' ' A' ' 14' ' ' ARG . 27.9 m -91.29 -33.94 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.764 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.552 ' HG2' HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -169.43 33.66 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.819 0.343 . . . . 0.0 110.899 -179.764 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.721 ' HA3' ' HA ' ' A' ' 11' ' ' CYS . . . -72.63 139.79 28.15 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.774 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.83 -100.64 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.534 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.443 HH11 ' HD3' ' A' ' 17' ' ' ARG . 4.7 ptp180 -105.46 172.06 6.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.814 0.34 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.9 m -133.52 136.61 45.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.077 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -103.46 167.07 10.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.7 t -84.13 -42.76 17.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.342 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.1 -80.34 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.744 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 40.6 t -104.53 150.8 24.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.74 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.21 175.72 0.69 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.557 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 3.6 mm? -93.73 148.26 35.05 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.423 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -68.52 -15.43 41.57 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.445 2.096 . . . . 0.0 113.009 -179.258 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.468 ' O ' ' HD3' ' A' ' 44' ' ' LYS . 0.6 OUTLIER -94.61 1.25 55.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.66 0.267 . . . . 0.0 111.313 -179.711 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.596 ' HB3' ' N ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -142.42 146.86 35.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.057 0.456 . . . . 0.0 111.667 -179.79 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.542 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 2.1 pt-20 -92.07 162.11 14.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.157 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.635 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 1.9 tt0 -91.46 136.06 33.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.923 0.392 . . . . 0.0 111.013 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -119.81 -15.2 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.317 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -179.74 -156.06 16.82 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.726 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 39' ' ' LYS . 16.7 mttp -125.35 104.38 8.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.857 0.36 . . . . 0.0 110.634 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.3 t -52.84 -63.29 1.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.359 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.0 t -102.38 163.0 12.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.8 p -97.66 -0.41 45.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.4 mmm-85 -77.61 -41.85 37.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.963 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 156.59 49.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.326 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.566 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 11.2 mtt180 -124.67 -174.49 3.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.88 0.371 . . . . 0.0 111.03 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.566 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -149.35 164.96 33.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.921 -179.781 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.635 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 6.5 t -109.28 131.42 55.08 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.058 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 1.5 m -118.76 145.14 45.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.454 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.439 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -128.29 108.5 10.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.377 179.76 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.596 ' N ' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -52.97 137.43 32.74 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.236 -179.403 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.533 ' HE3' ' HB3' ' A' ' 28' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.203 0 CA-C-O 121.183 0.516 . . . . 0.0 110.93 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.454 ' HB2' ' CE1' ' A' ' 9' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.002 0.429 . . . . 0.0 111.01 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -66.08 -0.54 2.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.69 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -82.2 -25.0 34.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.328 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.454 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 1.4 p90 -150.65 34.67 0.62 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.349 -0.842 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.76 -19.88 61.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.364 179.475 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.728 ' HA ' ' HA3' ' A' ' 15' ' ' GLY . 0.1 OUTLIER -91.95 0.54 57.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.569 179.686 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.08 -13.22 15.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.67 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.5 m -100.8 -37.54 5.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.31 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -164.35 30.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.728 ' HA3' ' HA ' ' A' ' 11' ' ' CYS . . . -72.24 132.3 18.58 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.53 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.39 -91.66 0.23 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.58 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -122.13 -174.95 3.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.734 0.302 . . . . 0.0 110.722 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 74.9 m -132.43 142.58 49.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.34 154.27 18.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.2 t -83.07 -36.55 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.419 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.495 HD12 ' H ' ' A' ' 22' ' ' SER . 0.1 OUTLIER -130.98 -62.67 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.62 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.495 ' H ' HD12 ' A' ' 21' ' ' LEU . 63.3 p -122.84 147.85 46.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.476 179.538 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -55.32 171.45 0.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.232 -179.699 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.436 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 4.3 mm? -90.0 146.46 35.15 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.692 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 24' ' ' LEU . 11.8 Cg_exo -71.34 25.28 0.23 Allowed 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.947 2.431 . . . . 0.0 112.995 -179.409 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.42 ' H ' ' C ' ' A' ' 24' ' ' LEU . 11.9 mmtt -144.82 9.15 1.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.755 0.312 . . . . 0.0 110.944 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.428 ' CG ' ' HB2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -147.72 142.4 26.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.219 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.555 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 17.1 tp10 -89.69 158.37 17.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.253 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.618 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 1.6 tm0? -88.71 137.96 31.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.926 0.393 . . . . 0.0 111.018 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.412 ' CD1' ' HA2' ' A' ' 15' ' ' GLY . 0.2 OUTLIER -117.42 -25.54 2.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.124 -179.629 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -175.65 -171.8 39.89 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.589 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -99.97 111.77 24.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.339 . . . . 0.0 110.745 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.7 t -57.93 -39.15 77.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.126 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -111.59 -163.84 0.88 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.917 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 p -71.29 -47.29 57.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.122 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -166.48 138.17 3.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.98 -44.76 1.42 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.662 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.0 mtm-85 -97.56 -178.65 4.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.844 0.354 . . . . 0.0 111.122 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.401 ' HB2' ' HG3' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -154.48 173.06 16.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.22 -179.724 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.618 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 1.5 m -116.11 125.13 51.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.662 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.522 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 1.5 m -118.5 134.86 54.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.965 0.412 . . . . 0.0 111.579 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.71 129.84 52.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.246 179.38 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.03 133.33 3.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.53 -179.304 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.987 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.456 ' HB2' ' CE2' ' A' ' 9' ' ' TYR . 0.9 OUTLIER . . . . . 0 CA--C 1.526 0.056 0 CA-C-O 120.958 0.408 . . . . 0.0 111.09 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.587 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -138.81 -16.81 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.321 179.678 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.3 mmtt -81.78 -3.37 53.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.743 179.173 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.456 ' CE2' ' HB2' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -152.73 21.42 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.24 179.556 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.587 ' HB2' ' HA ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -63.2 -35.47 80.43 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.129 179.484 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.401 ' HA ' ' CA ' ' A' ' 15' ' ' GLY . 1.3 t -85.24 0.95 50.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.247 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -94.88 -38.42 10.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.81 HG23 ' HG2' ' A' ' 14' ' ' ARG . 10.4 m -73.36 -25.5 21.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.053 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.81 ' HG2' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -160.98 -63.84 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.449 179.732 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.679 ' HA2' HD12 ' A' ' 30' ' ' ILE . . . 53.67 -145.53 23.81 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 121.007 -0.616 . . . . 0.0 113.079 179.58 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -173.69 -93.0 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 121.091 -0.576 . . . . 0.0 112.256 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -123.47 173.11 8.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.755 0.312 . . . . 0.0 110.689 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.8 m -130.43 135.63 48.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.982 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -103.39 167.07 10.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.106 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 36.8 t -83.2 -46.89 18.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.065 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.426 ' O ' ' HD2' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -120.77 -78.23 0.59 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.562 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.3 t -104.11 153.83 20.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.509 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.21 174.82 0.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.467 ' HB2' ' HG3' ' A' ' 27' ' ' GLU . 3.2 mm? -90.32 136.97 27.89 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.729 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 24' ' ' LEU . 52.4 Cg_exo -55.68 -21.48 32.03 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.784 2.323 . . . . 0.0 113.15 -179.295 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.1 mtmm -93.28 13.95 19.78 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.757 0.313 . . . . 0.0 111.298 -179.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.584 ' HB3' ' HA ' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -156.2 166.66 32.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.147 0.499 . . . . 0.0 111.698 -179.858 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.539 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 1.5 pt-20 -113.52 165.38 12.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.802 179.208 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.593 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 6.5 tt0 -88.45 137.04 32.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.082 0.467 . . . . 0.0 111.157 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.679 HD12 ' HA2' ' A' ' 15' ' ' GLY . 0.2 OUTLIER -119.82 -21.87 4.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.026 -179.486 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -167.15 -148.98 5.82 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.572 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.584 ' HA ' ' HA ' ' A' ' 39' ' ' LYS . 1.6 ptmm? -136.26 105.35 5.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.823 0.344 . . . . 0.0 110.836 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.6 t -61.51 -33.2 73.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.941 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.404 ' OG ' ' HD2' ' A' ' 38' ' ' ARG . 0.8 OUTLIER -144.21 143.87 31.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.7 p -91.5 11.46 23.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.081 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -92.14 -13.19 31.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.776 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.73 44.29 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.427 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.591 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 21.1 mtt180 -138.82 175.65 9.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.666 0.27 . . . . 0.0 110.874 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.591 ' HG3' ' C ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -150.94 169.91 20.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.799 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.593 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 1.3 m -106.96 134.97 49.31 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.089 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.539 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 8.5 m -113.69 155.64 25.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.116 0.484 . . . . 0.0 111.677 -179.7 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.479 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 11.0 tpp180 -132.25 104.67 6.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.841 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.584 ' HA ' ' HB3' ' A' ' 27' ' ' GLU . 8.3 ttp180 -56.73 142.71 39.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.673 -178.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.489 ' HE2' ' HG2' ' A' ' 28' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.908 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.474 ' HB2' ' CE1' ' A' ' 9' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 121.107 0.48 . . . . 0.0 110.631 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -64.33 -4.42 3.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.066 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.28 -14.99 54.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.86 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.474 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 2.2 p90 -157.19 29.65 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.06 179.566 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.417 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -67.95 -40.64 83.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.588 179.762 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.5 t -80.26 2.04 26.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.997 179.23 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 12' ' ' ARG . 5.6 ttt-85 -96.14 -45.43 6.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.648 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.601 HG23 ' CG ' ' A' ' 14' ' ' ARG . 19.7 m -57.47 -29.15 32.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 121.041 0.448 . . . . 0.0 110.647 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.601 ' CG ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -149.24 -67.68 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.172 179.157 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.06 101.88 0.01 OUTLIER Glycine 0 C--N 1.331 0.3 0 C-N-CA 121.161 -0.542 . . . . 0.0 113.0 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.3 -83.35 0.15 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.581 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.447 HH11 ' HD2' ' A' ' 17' ' ' ARG . 1.3 ptm85 -136.29 166.63 22.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.792 0.33 . . . . 0.0 110.85 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 68.8 m -114.21 134.85 54.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.659 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.8 159.61 14.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.945 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.443 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 22.7 t -83.56 -48.98 16.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.405 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 tp -118.78 -54.47 2.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.962 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.38 150.03 52.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.808 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -57.41 172.57 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.272 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.58 HD13 ' HD2' ' A' ' 25' ' ' PRO . 2.7 mm? -93.37 140.73 23.3 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.643 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.58 ' HD2' HD13 ' A' ' 24' ' ' LEU . 21.0 Cg_endo -60.84 -17.73 52.31 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.688 2.258 . . . . 0.0 112.74 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.451 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 8.4 mttt -95.8 13.95 24.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.52 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.487 ' HG3' ' HB2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -154.02 146.34 23.89 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.828 0.347 . . . . 0.0 111.39 179.885 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.542 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 4.1 pt-20 -95.71 159.67 14.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.871 179.173 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.506 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 13.4 tt0 -88.97 141.18 28.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.035 0.445 . . . . 0.0 111.375 -179.512 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.32 -21.24 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.117 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -169.64 -155.67 10.22 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.541 -0.838 . . . . 0.0 112.997 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.6 mttp -114.6 102.6 10.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.882 0.373 . . . . 0.0 110.338 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -63.91 -8.67 11.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.347 -179.616 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.2 t -138.86 -96.22 0.17 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.167 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.404 HG23 ' H ' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -137.88 -63.42 0.57 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.02 -179.864 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.404 ' H ' HG23 ' A' ' 35' ' ' THR . 20.6 ttp-105 -150.03 -20.76 0.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.946 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.51 -37.51 17.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.46 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.562 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 3.5 mtt180 -109.09 173.92 6.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.639 0.256 . . . . 0.0 110.669 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.562 ' HG3' ' C ' ' A' ' 38' ' ' ARG . 1.4 mptt -150.44 169.39 21.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.899 0.38 . . . . 0.0 110.932 -179.559 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.506 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 11.5 t -106.52 123.05 47.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.638 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -120.6 136.82 54.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.905 0.383 . . . . 0.0 111.741 -179.26 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.469 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -112.42 122.79 48.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.312 179.353 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.427 ' N ' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -50.2 146.48 5.0 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.48 -179.273 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.11 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.482 ' HB2' ' CE1' ' A' ' 9' ' ' TYR . 1.2 pp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.988 0.423 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -65.04 -2.55 2.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.023 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.406 ' HB2' ' CD2' ' A' ' 9' ' ' TYR . 4.6 mmmm -83.73 -14.7 51.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.482 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 0.4 OUTLIER -154.89 25.31 0.44 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.209 179.764 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.52 -24.94 66.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.993 0.425 . . . . 0.0 110.388 179.461 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.0 t -88.69 -1.2 57.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.582 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.8 mmm-85 -98.49 -24.28 15.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.761 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.69 HG23 ' HG3' ' A' ' 14' ' ' ARG . 16.0 m -86.45 -29.71 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.338 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.69 ' HG3' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -166.88 42.12 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.874 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.6 133.8 25.7 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.719 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.01 -101.05 0.92 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.569 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.0 ptm85 -106.77 -174.84 2.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.737 0.303 . . . . 0.0 110.952 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.7 m -137.22 133.79 35.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.065 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.68 164.34 11.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.533 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 9.5 t -83.4 -49.16 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.378 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.53 -40.36 0.8 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.626 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.88 138.56 51.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.727 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.67 171.06 1.23 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.979 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.453 ' HB2' ' HG2' ' A' ' 27' ' ' GLU . 55.6 mt -90.21 147.61 37.33 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.931 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.64 -14.7 46.04 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.576 2.184 . . . . 0.0 112.613 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -94.24 1.32 56.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.344 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.473 ' HG3' ' HB2' ' A' ' 41' ' ' CYS . 0.0 OUTLIER -147.22 143.53 28.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.031 0.443 . . . . 0.0 111.675 -179.577 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.614 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 0.0 OUTLIER -93.01 165.14 13.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.215 179.368 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.599 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 0.8 OUTLIER -90.05 137.07 32.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.003 0.43 . . . . 0.0 111.301 -179.643 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.559 HG23 ' OE2' ' A' ' 28' ' ' GLU . 0.3 OUTLIER -121.51 -21.32 3.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.125 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -168.08 -159.03 12.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.774 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -117.92 116.83 27.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.815 0.341 . . . . 0.0 110.793 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 46.5 t -71.23 -6.7 41.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.786 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.7 t -156.88 174.56 15.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.786 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -57.4 -38.93 75.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.087 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -171.6 145.34 2.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.922 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 107.57 -35.33 5.07 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.913 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.561 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 17.1 mtt180 -117.67 172.56 7.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.902 0.382 . . . . 0.0 111.239 -179.618 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.561 ' HG3' ' C ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -150.04 171.97 15.99 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.512 -179.868 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.599 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 26.0 m -109.36 123.83 49.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.864 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.614 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -115.8 131.89 56.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.709 -179.421 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -117.18 126.28 52.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.185 179.22 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.88 134.23 25.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.34 -179.24 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.546 ' O ' HD12 ' A' ' 6' ' ' LEU . 1.5 pp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.06 0.457 . . . . 0.0 110.775 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -65.4 0.55 1.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.808 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.418 ' H ' ' C ' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -82.18 -14.12 56.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 -179.872 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -154.75 22.48 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.304 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.43 -51.13 60.13 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.162 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.7 t -71.89 -15.48 62.11 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 178.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -87.47 -22.85 24.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.824 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.718 HG12 ' HG2' ' A' ' 14' ' ' ARG . 0.4 OUTLIER -81.84 -22.81 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.683 -179.873 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.718 ' HG2' HG12 ' A' ' 13' ' ' VAL . 1.0 OUTLIER -156.03 -60.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.496 179.474 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.78 88.51 0.01 OUTLIER Glycine 0 C--N 1.332 0.316 0 CA-C-N 116.035 -0.53 . . . . 0.0 113.091 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.26 -91.68 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.011 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.51 163.36 15.87 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 179.426 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.7 m -132.39 134.24 44.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.878 0.371 . . . . 0.0 111.303 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.487 ' O ' ' HG2' ' A' ' 38' ' ' ARG . . . -101.44 155.67 17.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.566 179.62 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.5 t -82.47 -22.71 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.36 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.27 -86.81 0.54 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.016 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.9 t -110.52 153.11 25.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.808 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -61.86 168.36 3.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.485 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 31.9 mt -91.07 146.58 33.9 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.972 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -66.84 -11.66 32.94 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.431 2.088 . . . . 0.0 112.308 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.79 0.3 54.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.048 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.485 ' CG ' ' HB2' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -146.7 150.08 34.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.102 0.477 . . . . 0.0 111.615 -179.795 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.566 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 2.7 pt-20 -96.97 164.34 12.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.168 179.405 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.532 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -89.07 139.39 30.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.058 0.456 . . . . 0.0 111.216 -179.531 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -118.67 -20.18 5.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.128 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 175.79 154.1 11.11 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.46 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -67.51 123.93 21.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.849 0.357 . . . . 0.0 110.78 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.403 ' H ' ' HA ' ' A' ' 39' ' ' LYS . 6.6 t -71.35 -30.51 66.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.943 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.5 m -154.62 174.64 14.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.9 p -96.64 -7.8 33.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.195 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.7 mtm180 -74.84 -44.11 50.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 155.33 47.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.502 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.565 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 5.1 mtt180 -125.93 171.38 10.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.663 0.268 . . . . 0.0 110.815 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.565 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 0.2 OUTLIER -150.82 163.38 38.77 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.904 0.383 . . . . 0.0 111.063 -179.708 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.532 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 57.0 m -108.25 127.2 53.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.79 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.566 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.5 OUTLIER -117.6 137.59 52.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.047 0.451 . . . . 0.0 111.826 -179.506 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.41 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 0.6 OUTLIER -117.46 118.59 32.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.032 179.347 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.432 ' N ' ' HB3' ' A' ' 27' ' ' GLU . 9.4 mtp180 -52.05 141.79 17.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.313 -179.29 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.2 mmtp . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.214 -179.779 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.497 ' HB2' ' CE1' ' A' ' 9' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.955 0.407 . . . . 0.0 110.933 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.571 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 6.5 mt-30 -65.58 -2.29 3.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.85 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.93 -14.44 57.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.006 0.431 . . . . 0.0 110.446 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.497 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -155.21 15.09 0.4 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.462 179.213 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.571 ' HB2' ' HA ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -63.92 -32.03 73.42 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.429 ' O ' ' HA3' ' A' ' 15' ' ' GLY . 0.0 OUTLIER -91.21 15.27 12.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.803 179.132 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.495 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -110.42 -28.1 8.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.489 -179.854 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.4 m -84.45 -28.03 6.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.438 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -156.4 12.77 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.935 0.398 . . . . 0.0 110.438 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.429 ' HA3' ' O ' ' A' ' 11' ' ' CYS . . . -73.04 146.25 37.71 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.671 -179.706 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.42 -75.47 1.1 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.959 -0.639 . . . . 0.0 112.643 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -133.69 -171.5 2.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.853 0.359 . . . . 0.0 111.041 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 m -132.73 143.78 49.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.969 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.63 167.06 10.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.021 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.438 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -83.93 -45.86 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.44 -179.688 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.444 ' HA ' ' O ' ' A' ' 37' ' ' GLY . 0.1 OUTLIER -127.13 -60.54 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.784 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.88 154.95 35.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.829 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.469 ' SG ' ' HG3' ' A' ' 29' ' ' GLN . 0.5 OUTLIER -52.83 166.12 0.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.927 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.577 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 3.0 mm? -91.05 148.55 38.21 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.579 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.457 ' C ' ' HG2' ' A' ' 26' ' ' LYS . 13.4 Cg_exo -70.57 22.47 0.2 Allowed 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.92 2.414 . . . . 0.0 113.003 -179.322 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.457 ' HG2' ' C ' ' A' ' 25' ' ' PRO . 3.7 mttm -144.01 19.8 1.78 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.644 0.259 . . . . 0.0 111.114 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.609 ' HA ' ' HG3' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -153.25 160.06 42.7 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.951 0.405 . . . . 0.0 111.807 -179.874 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.597 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 5.0 pt-20 -106.44 153.77 21.78 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.768 179.091 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.558 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -88.67 137.98 31.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.141 0.496 . . . . 0.0 111.558 -179.164 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.463 HD12 ' HG2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -123.86 -22.1 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.958 -179.844 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -162.46 -162.25 13.23 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.748 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -125.17 108.38 11.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.805 0.336 . . . . 0.0 110.716 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 t -60.36 -23.01 63.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.095 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 p -139.6 166.65 24.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.6 p -59.82 -40.25 87.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.08 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -167.28 103.26 0.53 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.444 ' O ' ' HA ' ' A' ' 21' ' ' LEU . . . 149.63 -34.12 1.06 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.43 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.535 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 10.3 mtm180 -123.49 172.7 8.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.718 0.294 . . . . 0.0 110.777 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.535 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 3.1 mptp? -150.91 173.07 14.7 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.766 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.558 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 57.2 m -110.46 112.22 24.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.097 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.597 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -120.59 131.55 54.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.961 0.41 . . . . 0.0 111.4 179.73 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.467 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -111.74 129.83 55.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.482 179.509 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.84 136.27 22.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.376 -179.386 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.609 ' HG3' ' HA ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.901 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.496 ' HB2' ' CE1' ' A' ' 9' ' ' TYR . 1.1 pp . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.985 0.421 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.437 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 4.4 mt-30 -65.61 -1.0 2.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.657 179.362 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.06 -15.32 56.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.643 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.499 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -155.2 17.38 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.977 179.748 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.437 ' HB2' ' HA ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -66.08 -28.7 69.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.114 0.483 . . . . 0.0 109.745 179.254 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.542 ' O ' ' HA3' ' A' ' 15' ' ' GLY . 57.5 m -87.04 8.38 23.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.936 179.041 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.499 ' HB2' ' O ' ' A' ' 9' ' ' TYR . 6.6 mmm180 -103.26 -27.37 12.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.346 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.3 m -94.66 -30.43 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.25 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.407 ' HD3' HH11 ' A' ' 14' ' ' ARG . 1.9 mtt-85 -144.97 26.02 1.39 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.542 ' HA3' ' O ' ' A' ' 11' ' ' CYS . . . -71.13 108.92 2.64 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.681 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.71 -82.27 0.37 Allowed Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.225 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -130.57 174.06 10.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.794 0.331 . . . . 0.0 110.787 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 97.5 m -131.11 142.83 50.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.974 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.22 158.51 15.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.413 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 22.4 t -83.55 -48.15 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.491 -179.601 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -111.77 -55.3 2.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.123 -179.714 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.6 p -142.48 150.64 40.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.17 163.65 1.53 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.014 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.524 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 9.2 mt -93.21 141.19 23.7 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.046 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 24' ' ' LEU . 33.3 Cg_exo -60.53 -16.23 41.2 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.652 2.234 . . . . 0.0 112.553 -179.608 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.3 mmtt -91.86 6.91 44.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.984 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.524 ' CG ' ' HB2' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -149.86 143.82 25.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.845 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.565 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 11.0 pt-20 -94.19 157.18 16.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.364 179.541 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.561 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 5.0 tt0 -89.47 140.64 29.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.04 0.448 . . . . 0.0 111.143 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -120.43 -22.4 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.14 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -166.6 -159.16 11.9 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.795 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -120.52 114.83 22.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 110.702 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.1 t -68.06 -9.04 43.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.944 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.449 ' OG ' ' HB2' ' A' ' 38' ' ' ARG . 0.1 OUTLIER -163.84 -83.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.73 179.85 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.7 p -133.12 -159.27 0.95 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 36' ' ' ARG . 12.0 ptt-85 -61.96 -20.66 64.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.024 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.77 -69.97 1.27 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.788 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.596 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 12.8 mtt85 -89.3 162.91 15.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.841 0.353 . . . . 0.0 111.084 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.596 ' HG3' ' C ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -151.17 175.52 12.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.695 -179.908 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.561 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 1.8 m -107.73 121.2 44.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.27 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.565 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -115.88 141.23 48.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.258 -179.91 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.1 ppt_? -120.84 125.21 46.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.342 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -54.31 133.44 45.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.244 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.698 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.448 ' HB2' ' CE1' ' A' ' 9' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.943 0.401 . . . . 0.0 111.027 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -64.74 -3.3 3.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.2 mmtm -82.53 -17.45 44.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.782 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.448 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 5.6 p90 -156.19 32.93 0.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.954 179.718 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.58 -36.8 68.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.717 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.446 ' O ' ' HA3' ' A' ' 15' ' ' GLY . 15.0 t -80.82 15.87 1.63 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.436 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -114.28 -38.65 4.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.726 179.834 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.5 m -81.76 -29.48 10.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.166 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.8 mtt85 -144.65 19.81 1.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.446 ' HA3' ' O ' ' A' ' 11' ' ' CYS . . . -62.16 126.07 37.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.537 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -104.29 -79.68 1.34 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.513 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.449 HH11 ' HD3' ' A' ' 17' ' ' ARG . 3.7 ptp180 -133.02 175.96 8.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.806 0.336 . . . . 0.0 111.09 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 68.9 m -128.36 145.02 51.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.758 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.12 176.34 5.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.224 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.3 t -84.95 -49.43 15.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.467 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.8 tt -130.76 -51.94 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.81 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -123.18 154.0 39.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.762 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.42 ' H ' ' NZ ' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -53.84 169.25 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.327 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.484 ' HB2' ' HG3' ' A' ' 27' ' ' GLU . 4.5 mm? -89.2 152.36 47.83 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.588 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -73.56 23.66 0.33 Allowed 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.66 2.24 . . . . 0.0 113.114 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -146.91 22.26 1.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.939 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.495 ' HA ' ' HD3' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -157.81 162.7 38.46 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.075 0.464 . . . . 0.0 111.801 -179.648 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.554 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 0.0 OUTLIER -110.75 158.94 18.09 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.818 178.867 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.472 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -88.59 140.99 28.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.062 0.458 . . . . 0.0 111.519 -179.364 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.28 -25.62 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.652 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.449 ' O ' ' HB2' ' A' ' 40' ' ' CYS . . . 169.94 158.91 14.57 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.537 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.18 132.45 53.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.805 0.336 . . . . 0.0 110.59 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 54.0 t -83.09 -39.67 20.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.389 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.6 m -138.28 -87.64 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.036 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.0 p -108.15 -160.94 0.75 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.16 18.34 1.41 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -113.35 -35.78 1.56 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.513 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.601 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 9.6 mtm-85 -110.33 166.12 11.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.712 0.291 . . . . 0.0 110.807 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.601 ' HG3' ' C ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -149.8 173.19 14.01 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.854 -179.791 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.472 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 19.1 m -107.46 120.22 41.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.396 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.554 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -116.78 135.65 53.58 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.087 0.47 . . . . 0.0 111.175 179.258 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.422 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 0.6 OUTLIER -110.56 116.15 30.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.453 -179.83 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.45 ' HA ' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -47.77 144.78 3.16 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.952 0.406 . . . . 0.0 111.397 -179.495 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.495 ' HD3' ' HA ' ' A' ' 27' ' ' GLU . 11.9 mmtt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.885 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.44 ' O ' HD12 ' A' ' 6' ' ' LEU . 1.1 pp . . . . . 0 CA--C 1.527 0.093 0 CA-C-O 121.017 0.436 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -66.17 -3.29 5.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.108 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.36 -12.69 54.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.386 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.433 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -155.48 21.36 0.41 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.335 179.828 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.459 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -59.63 -49.52 77.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.836 0.35 . . . . 0.0 110.601 179.609 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.8 t -81.85 3.01 27.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.108 0.48 . . . . 0.0 110.226 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.4 ttm-85 -93.33 -34.56 13.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.784 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.535 HG23 ' CG ' ' A' ' 14' ' ' ARG . 30.0 m -73.82 -31.83 32.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.157 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.535 ' CG ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -161.81 -62.02 0.05 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.822 179.662 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.473 ' H ' ' HG3' ' A' ' 14' ' ' ARG . . . 56.7 -137.29 48.66 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.516 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -167.82 -100.73 0.14 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.337 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.16 151.02 36.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.707 0.289 . . . . 0.0 110.563 179.709 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 57.4 m -108.11 137.65 45.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.013 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.35 153.87 18.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.768 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 37.8 t -82.51 -33.89 11.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.266 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -128.46 -62.52 1.03 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.69 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.9 146.69 51.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.478 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.41 173.7 0.17 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.084 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.443 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 4.5 mm? -91.87 145.82 31.76 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.856 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -66.58 -14.74 45.23 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.618 2.212 . . . . 0.0 112.652 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.98 -2.02 53.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.188 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.448 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 0.0 OUTLIER -138.04 146.08 42.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.117 0.484 . . . . 0.0 111.573 -179.737 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.428 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 15.7 tp10 -91.84 156.93 17.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.186 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.586 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 4.0 tt0 -89.0 133.88 34.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.004 0.43 . . . . 0.0 110.934 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -118.55 -19.41 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.603 -179.321 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -169.18 -161.98 20.54 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.472 -0.87 . . . . 0.0 113.053 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -115.94 93.79 4.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.889 0.376 . . . . 0.0 110.311 179.7 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -47.26 -35.05 7.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.374 -179.67 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.414 ' HB2' ' HB2' ' A' ' 38' ' ' ARG . 62.2 m -124.05 -169.95 2.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.843 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 76.3 p -64.68 -75.87 0.08 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.406 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -136.16 131.67 34.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.734 0.302 . . . . 0.0 110.691 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 117.95 -58.81 0.5 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.49 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.544 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 0.4 OUTLIER -84.57 170.1 13.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.753 0.311 . . . . 0.0 110.89 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.544 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -150.31 174.08 13.25 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -179.871 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.586 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 9.1 t -108.44 125.69 52.04 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.916 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.448 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 0.8 OUTLIER -113.47 143.03 45.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.244 -179.695 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.401 ' HD3' HH11 ' A' ' 42' ' ' ARG . 0.0 OUTLIER -128.76 122.76 31.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.146 179.862 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -48.46 128.72 15.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.18 -179.473 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.0 mttm . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.129 -179.768 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.429 ' HB2' ' CD1' ' A' ' 9' ' ' TYR . 0.6 OUTLIER . . . . . 0 CA--C 1.527 0.063 0 CA-C-O 120.952 0.406 . . . . 0.0 110.966 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.409 ' H ' ' HG3' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -66.33 -7.82 21.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.748 179.877 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.07 -19.13 40.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.798 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.429 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -154.86 31.64 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.772 179.667 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.58 -46.08 77.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.554 179.752 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 p -83.61 13.15 4.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.43 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.412 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -107.02 -28.21 10.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.691 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.842 HG23 ' HG2' ' A' ' 14' ' ' ARG . 28.8 m -85.91 -21.05 7.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.487 -179.73 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.842 ' HG2' HG23 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -172.57 33.11 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.885 0.374 . . . . 0.0 110.755 -179.781 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.18 -151.62 1.3 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.797 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -143.05 -89.56 0.11 Allowed Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.581 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.03 162.74 26.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.778 0.323 . . . . 0.0 110.822 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.8 m -117.06 139.35 50.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -99.34 168.73 9.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.95 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.1 t -82.98 -44.36 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.402 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.7 mt -126.42 -77.94 0.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.0 p -102.59 157.49 16.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.647 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.18 170.33 0.34 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.266 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.534 ' HB2' ' HG3' ' A' ' 27' ' ' GLU . 4.1 mm? -88.11 148.83 43.91 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.352 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 24' ' ' LEU . 12.0 Cg_exo -71.25 23.57 0.22 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.022 2.481 . . . . 0.0 113.395 -178.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.13 16.29 1.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.637 0.256 . . . . 0.0 111.134 179.713 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.534 ' HG3' ' HB2' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -151.79 162.22 41.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.158 0.504 . . . . 0.0 111.806 -179.811 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.58 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 8.9 tp10 -107.55 160.53 15.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.677 179.277 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.542 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 0.9 OUTLIER -87.71 134.93 33.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.054 0.454 . . . . 0.0 110.999 -179.648 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -120.27 -22.21 3.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.376 -179.405 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -166.36 -162.5 17.98 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.967 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.85 106.45 9.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.88 0.372 . . . . 0.0 110.602 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -57.01 -24.65 55.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.968 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 m -125.08 176.86 6.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.525 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.414 ' H ' HG22 ' A' ' 35' ' ' THR . 1.0 OUTLIER -66.48 -44.65 82.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.137 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.6 ptm85 -165.25 107.8 0.82 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.784 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 150.68 -54.94 0.47 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.18 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.545 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 21.7 mtm180 -97.41 177.42 5.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.595 0.236 . . . . 0.0 110.559 179.546 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.545 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -150.08 170.18 19.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.888 0.375 . . . . 0.0 110.858 -179.853 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.542 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 1.6 m -113.22 124.81 53.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.544 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.58 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 2.7 m -122.11 128.25 51.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.029 0.442 . . . . 0.0 111.944 -179.45 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.446 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -111.68 131.25 55.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.753 178.939 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -44.39 120.1 2.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.947 0.403 . . . . 0.0 111.544 -179.094 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.787 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -94.77 137.24 23.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.845 0.355 . . . . 0.0 111.048 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.1 tt -95.41 141.12 15.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.012 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -136.59 -9.31 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.023 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.04 143.15 27.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.474 ' O ' HD12 ' A' ' 6' ' ' LEU . 1.2 pp -161.8 42.76 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.814 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.45 ' H ' ' HG3' ' A' ' 7' ' ' GLN . 2.9 mt-30 -64.84 -2.91 2.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.975 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.06 -15.85 52.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.404 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -154.78 21.4 0.45 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.95 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.412 ' HB2' ' HA ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -61.95 -31.23 71.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.021 0.439 . . . . 0.0 110.242 179.6 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.9 t -93.57 -8.2 41.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.137 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.443 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 1.8 tpp85 -94.74 -20.25 19.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.596 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.1 m -88.28 -32.07 5.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.548 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.78 36.19 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.896 0.379 . . . . 0.0 110.776 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.28 -146.55 0.15 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.732 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -149.25 -97.78 0.18 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.611 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.453 HH22 HH21 ' A' ' 43' ' ' ARG . 1.8 ptp180 -110.35 174.5 5.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.816 0.341 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.8 m -129.84 139.36 51.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.081 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.516 ' O ' ' HG2' ' A' ' 38' ' ' ARG . . . -100.09 158.69 15.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.529 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.0 t -82.59 -38.52 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.309 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.62 -68.27 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.733 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.5 p -112.81 148.89 33.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.343 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.77 173.93 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.104 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.484 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 4.6 mm? -92.11 140.84 24.67 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.552 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 24' ' ' LEU . 36.2 Cg_exo -60.26 -19.33 57.03 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.698 2.265 . . . . 0.0 112.957 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -93.23 7.58 43.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.543 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.484 ' CG ' ' HB2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -150.15 153.95 37.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.057 0.456 . . . . 0.0 111.864 -179.762 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.556 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 7.3 pt-20 -100.19 164.41 11.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.035 179.306 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.623 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 1.6 tt0 -91.16 137.79 32.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.011 0.434 . . . . 0.0 111.078 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -119.22 -22.38 3.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.385 -179.564 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 179.06 -177.54 48.49 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.431 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -83.56 130.16 34.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.788 0.328 . . . . 0.0 110.591 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.467 ' HB2' ' O ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -97.48 9.78 41.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.313 -179.571 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.412 ' HB2' ' NE ' ' A' ' 38' ' ' ARG . 5.0 t -151.78 -97.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.833 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.41 ' H ' ' HB3' ' A' ' 34' ' ' SER . 1.4 t -171.59 -27.51 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.623 0.249 . . . . 0.0 111.46 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -166.73 108.56 0.69 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.526 -179.865 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.12 -6.94 40.32 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 120.765 -0.731 . . . . 0.0 113.467 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.581 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 47.0 mtp180 -129.39 164.56 23.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.892 0.377 . . . . 0.0 111.445 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.581 ' HG3' ' C ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -150.73 174.97 12.42 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.52 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.623 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 49.8 t -112.45 136.25 52.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.206 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.556 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 1.7 m -123.72 140.38 53.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.43 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.407 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -124.62 120.22 31.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.294 179.384 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.453 HH21 HH22 ' A' ' 17' ' ' ARG . 0.2 OUTLIER -50.24 133.12 24.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.449 -179.213 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.02 136.71 55.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.828 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.2 mptt . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.201 -0.904 . . . . 0.0 111.007 -179.846 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.19 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.7 tt -121.25 128.72 76.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 111.063 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -114.51 113.97 45.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -106.5 46.28 0.93 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.87 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.86 142.58 34.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.1 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 9' ' ' TYR . 1.1 pp -109.67 43.46 1.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.03 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -64.39 -4.41 3.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -82.39 -14.94 54.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.423 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 6' ' ' LEU . 19.4 p90 -155.92 28.32 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -73.2 -35.74 66.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.954 0.407 . . . . 0.0 110.303 179.471 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.579 ' SG ' ' HA3' ' A' ' 15' ' ' GLY . 44.2 t -81.99 -4.14 56.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.344 0.593 . . . . 0.0 109.811 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.92 -30.76 16.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.714 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.928 HG23 ' HG2' ' A' ' 14' ' ' ARG . 28.1 m -84.91 -29.36 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.333 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.928 ' HG2' HG23 ' A' ' 13' ' ' VAL . 3.5 ptt180 -168.5 52.86 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.925 0.393 . . . . 0.0 110.891 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.579 ' HA3' ' SG ' ' A' ' 11' ' ' CYS . . . -86.2 122.87 6.21 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.733 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.74 -82.41 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.113 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -131.78 160.47 35.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.657 0.265 . . . . 0.0 110.401 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.3 m -122.25 135.5 54.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.212 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.501 ' O ' ' HG2' ' A' ' 38' ' ' ARG . . . -99.75 154.4 18.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.551 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.2 t -83.12 -27.71 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.657 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.64 -80.18 0.59 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.87 0.367 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.7 m -131.11 163.55 27.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.825 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -48.45 162.63 0.09 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.143 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.439 ' HB2' ' HG3' ' A' ' 27' ' ' GLU . 4.3 mm? -88.37 149.85 45.53 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.441 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -71.21 24.48 0.22 Allowed 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.875 2.384 . . . . 0.0 112.911 -179.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.428 ' H ' ' C ' ' A' ' 24' ' ' LEU . 4.0 mmtm -146.51 20.99 1.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.738 0.304 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.439 ' HG3' ' HB2' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -157.21 164.75 37.41 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.009 0.433 . . . . 0.0 111.687 -179.83 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.499 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 3.1 pt-20 -110.03 161.6 15.36 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.742 178.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.501 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 1.0 OUTLIER -88.04 142.17 28.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.045 0.45 . . . . 0.0 111.543 -179.214 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -118.47 -22.94 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.019 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 179.79 -151.22 9.83 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.522 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -122.19 115.32 22.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.761 0.315 . . . . 0.0 110.701 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.7 t -75.22 -7.85 55.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.053 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -160.98 178.2 9.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.97 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.4 p -115.98 -1.3 12.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.321 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' ' 36' ' ' ARG . 33.5 mtt-85 -81.3 -3.27 52.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.965 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 115.04 46.39 0.59 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.48 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.519 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 4.7 mtt85 -124.78 176.97 6.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.681 0.277 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.519 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -150.46 161.23 42.92 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.802 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.501 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 4.0 t -108.0 131.5 54.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.052 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.499 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -123.55 143.91 49.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.015 0.436 . . . . 0.0 111.598 -179.857 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -128.23 124.54 36.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.024 179.384 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.417 ' N ' ' HB3' ' A' ' 27' ' ' GLU . 0.7 OUTLIER -39.2 131.19 1.55 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.821 -179.036 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.83 168.88 8.95 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.133 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.879 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.183 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.7 mt -132.35 138.24 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.78 0.324 . . . . 0.0 111.005 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.526 HG13 ' N ' ' A' ' 4' ' ' ASN . 0.6 OUTLIER -79.91 142.69 13.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.922 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.526 ' N ' HG13 ' A' ' 3' ' ' ILE . 70.8 m-80 -108.36 -49.82 3.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.053 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.9 p -75.11 163.68 27.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.291 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.424 ' HB2' ' CE1' ' A' ' 9' ' ' TYR . 0.6 OUTLIER -127.2 38.3 4.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.72 179.737 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -65.03 -1.31 2.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.781 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -83.71 -19.1 35.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.519 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.424 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 3.6 p90 -156.49 36.17 0.32 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.272 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.8 -38.64 67.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.822 0.344 . . . . 0.0 110.768 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 33.1 t -83.58 12.99 4.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.347 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -112.01 -31.63 6.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.007 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.533 HG23 ' HG3' ' A' ' 14' ' ' ARG . 18.7 m -83.4 -37.79 13.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.573 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.533 ' HG3' HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -152.08 26.73 0.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.001 -179.78 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.96 116.48 8.59 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.634 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.2 -79.09 0.21 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -131.96 172.24 12.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.794 0.33 . . . . 0.0 110.98 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.495 ' SG ' ' HD2' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -133.65 142.4 48.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.5 179.786 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -103.5 168.89 8.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.998 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.1 t -82.79 -43.31 18.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.308 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.9 tp -120.75 -70.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.799 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.36 150.59 38.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.766 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.6 174.74 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.98 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.54 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 79.3 mt -92.61 154.12 42.42 Favored Pre-proline 0 C--N 1.332 -0.193 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.023 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.52 -19.0 33.06 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.553 2.169 . . . . 0.0 112.999 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.24 11.02 33.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.56 -179.532 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.54 ' CG ' ' HB2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -151.13 145.42 25.44 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.904 0.383 . . . . 0.0 111.631 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.556 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 10.3 pt-20 -93.92 163.8 13.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.469 179.594 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.597 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 1.1 tm0? -90.76 136.76 32.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.902 0.382 . . . . 0.0 111.236 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -121.61 -19.21 4.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.333 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -164.95 -167.69 25.92 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.962 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -110.45 116.86 32.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.874 0.368 . . . . 0.0 110.858 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.463 ' HB3' ' HB3' ' A' ' 38' ' ' ARG . 3.4 t -70.39 -30.58 67.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.006 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.625 ' HB3' ' HE ' ' A' ' 38' ' ' ARG . 0.8 OUTLIER -167.08 154.24 8.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.8 p -86.32 11.59 11.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.263 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.0 mtm105 -98.09 -15.62 19.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.982 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 134.37 42.32 0.14 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.626 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.625 ' HE ' ' HB3' ' A' ' 34' ' ' SER . 67.6 mtm-85 -128.83 167.17 17.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.733 0.302 . . . . 0.0 110.668 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.496 ' HB3' ' HG3' ' A' ' 29' ' ' GLN . 2.8 mptp? -150.41 166.95 28.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.477 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.597 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 2.2 t -105.73 123.44 47.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.556 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.8 OUTLIER -111.76 144.45 41.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.04 0.448 . . . . 0.0 111.534 -179.623 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.405 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 4.6 tmm_? -125.46 115.12 19.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.005 179.535 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.42 ' N ' ' HB3' ' A' ' 27' ' ' GLU . 2.7 ttt180 -54.02 130.56 38.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.98 -179.446 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.96 167.8 1.12 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.205 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.963 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.149 0 N-CA-C 112.432 -0.267 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.1 tp -143.56 157.66 16.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.739 0.304 . . . . 0.0 111.157 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.461 ' H ' HD12 ' A' ' 3' ' ' ILE . 2.2 mp -81.47 131.2 34.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -103.62 -43.86 5.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.064 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.24 139.49 51.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.444 ' HB2' ' CE2' ' A' ' 9' ' ' TYR . 0.8 OUTLIER -92.76 49.16 1.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.092 0.472 . . . . 0.0 110.991 -179.881 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.77 -4.81 9.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.555 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.1 mmtp -83.76 -17.73 40.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.144 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.444 ' CE2' ' HB2' ' A' ' 6' ' ' LEU . 4.8 p90 -155.65 30.26 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.414 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.44 -13.99 61.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.94 0.4 . . . . 0.0 110.419 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.613 ' SG ' ' HA3' ' A' ' 15' ' ' GLY . 44.9 t -105.75 -10.1 16.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.698 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -91.62 -6.46 52.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.0 m -103.06 -30.4 2.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.425 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -168.15 25.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.467 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.613 ' HA3' ' SG ' ' A' ' 11' ' ' CYS . . . -58.54 151.14 33.17 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.877 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.97 -100.45 1.0 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.612 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -109.71 179.63 4.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.738 0.304 . . . . 0.0 110.824 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.4 m -128.11 139.22 52.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.184 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.25 161.06 13.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.375 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 23.8 t -81.62 -41.06 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.9 0.381 . . . . 0.0 111.287 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.71 -60.9 0.86 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.374 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.6 t -117.61 144.65 44.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.398 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.66 173.49 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.151 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.516 ' HB2' ' HG3' ' A' ' 27' ' ' GLU . 4.6 mm? -91.02 146.66 34.1 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.784 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 24' ' ' LEU . 24.7 Cg_exo -63.67 -20.28 68.79 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.784 2.323 . . . . 0.0 113.118 -179.138 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.04 2.85 56.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.624 -179.321 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.516 ' HG3' ' HB2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -145.09 139.35 27.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.993 0.425 . . . . 0.0 111.476 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.521 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -86.89 165.67 15.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.347 179.621 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.558 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 0.6 OUTLIER -90.69 136.56 32.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.966 0.413 . . . . 0.0 110.885 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.404 HG13 ' HB3' ' A' ' 40' ' ' CYS . 1.1 pt -115.36 -22.94 4.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.99 -179.527 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 178.87 -149.12 8.66 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.611 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -109.58 99.29 8.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.766 0.317 . . . . 0.0 110.248 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -51.48 -83.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.16 -179.484 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.7 t -83.46 -163.28 0.73 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.838 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.6 t -60.33 170.82 1.2 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.187 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -48.73 109.52 0.26 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.125 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 147.48 -25.59 1.52 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.917 -0.658 . . . . 0.0 112.362 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.513 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 34.0 mtt180 -115.83 -175.21 2.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.663 0.268 . . . . 0.0 110.707 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.513 ' HG3' ' C ' ' A' ' 38' ' ' ARG . 0.1 OUTLIER -148.14 164.58 33.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.734 -179.809 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.558 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 9.1 t -107.46 131.81 53.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.435 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.521 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 2.9 m -113.87 144.66 42.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.316 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -121.8 110.54 16.03 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.031 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.438 ' N ' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -59.43 132.27 53.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.181 -179.311 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.1 153.56 51.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.818 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.176 -0.916 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.431 HG13 ' N ' ' A' ' 3' ' ' ILE . 0.7 OUTLIER -77.45 150.56 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.765 0.316 . . . . 0.0 111.145 -179.87 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.431 ' N ' HG13 ' A' ' 2' ' ' ILE . 0.3 OUTLIER -125.21 -173.08 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.22 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -73.8 -1.13 18.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.04 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -137.69 -159.71 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.626 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.406 ' O ' HD12 ' A' ' 6' ' ' LEU . 1.0 OUTLIER -131.49 43.91 3.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.064 0.459 . . . . 0.0 110.805 179.758 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.544 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 5.0 mt-30 -66.38 -4.27 7.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.28 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.87 -12.4 57.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.895 0.379 . . . . 0.0 110.74 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -155.62 17.74 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.537 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.544 ' HB2' ' HA ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -60.47 -33.17 72.19 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.401 179.724 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.599 ' HB2' HG13 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -90.57 -11.46 40.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.891 179.407 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.436 ' HB2' HH11 ' A' ' 12' ' ' ARG . 0.0 OUTLIER -83.84 -23.15 31.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.505 179.516 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.632 HG23 ' HG3' ' A' ' 14' ' ' ARG . 5.8 m -90.77 -44.02 14.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.105 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.632 ' HG3' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -152.79 61.78 0.79 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.794 179.856 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -113.25 -116.6 3.35 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.581 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 179.25 -98.88 0.12 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.674 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -114.42 176.17 5.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.756 0.313 . . . . 0.0 110.796 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.8 m -129.19 136.27 49.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.16 157.51 16.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.816 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.454 ' HB ' HD12 ' A' ' 21' ' ' LEU . 3.9 t -83.0 -28.04 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.459 -179.593 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.454 HD12 ' HB ' ' A' ' 20' ' ' VAL . 5.6 mp -129.88 -80.67 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.056 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.1 t -110.62 155.36 22.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.987 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.22 172.65 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.147 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.494 ' HB2' ' HG3' ' A' ' 27' ' ' GLU . 3.6 mm? -91.59 150.37 40.95 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.401 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.405 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 69.7 Cg_endo -74.42 27.53 0.34 Allowed 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.536 2.157 . . . . 0.0 112.97 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 25' ' ' PRO . 25.0 mttt -146.86 11.05 1.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.055 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.494 ' HG3' ' HB2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -148.69 164.14 35.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.08 0.467 . . . . 0.0 111.822 -179.523 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.606 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 8.2 pt-20 -108.23 161.68 14.78 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.619 -0.718 . . . . 0.0 109.911 179.202 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.519 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -90.28 139.51 30.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.082 0.468 . . . . 0.0 111.422 -179.57 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.599 HG13 ' HB2' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -116.88 -28.16 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.441 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 172.17 171.3 36.98 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.427 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.87 126.69 30.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.745 0.307 . . . . 0.0 110.945 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.4 t -89.22 11.51 18.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -159.54 -166.57 1.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 t -117.61 -18.62 9.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.194 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -72.78 -79.97 0.07 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.95 57.36 0.22 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.548 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.571 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 27.3 mtt180 -120.06 -176.84 3.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 110.933 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.571 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -149.67 160.1 43.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.846 -179.711 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.519 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 0.5 OUTLIER -113.25 130.84 56.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.631 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.606 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -121.27 136.57 54.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.128 0.489 . . . . 0.0 111.914 -179.695 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.424 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -112.86 117.14 31.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.266 179.74 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.425 ' N ' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -47.74 136.71 10.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.207 -179.618 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -59.6 160.85 6.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.164 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.5 mttp . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.88 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.122 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.0 tt -163.08 146.23 3.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.785 0.326 . . . . 0.0 111.155 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.463 HG13 ' N ' ' A' ' 4' ' ' ASN . 3.8 tp -130.28 148.34 33.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.287 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.463 ' N ' HG13 ' A' ' 3' ' ' ILE . 31.8 t-20 -76.51 -54.02 7.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.751 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -153.93 158.05 40.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.759 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.433 ' O ' HD12 ' A' ' 6' ' ' LEU . 1.1 pp -122.85 41.81 3.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.916 0.388 . . . . 0.0 111.134 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.473 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 3.7 mt-30 -66.26 -2.84 4.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 179.758 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.7 mmtm -82.31 -15.45 52.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.828 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.431 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -154.91 25.37 0.44 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.626 179.584 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.473 ' HB2' ' HA ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -60.37 -29.83 69.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.635 179.755 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.486 ' HA ' ' HA3' ' A' ' 15' ' ' GLY . 0.5 OUTLIER -85.0 -20.52 30.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.68 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -79.14 -45.35 20.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.709 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 9' ' ' TYR . 4.5 m -64.71 -36.0 76.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.001 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.566 ' HG3' ' H ' ' A' ' 15' ' ' GLY . 0.3 OUTLIER -165.22 -72.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 179.809 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.566 ' H ' ' HG3' ' A' ' 14' ' ' ARG . . . 56.52 -130.88 50.69 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.743 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -167.8 -88.63 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.182 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -127.55 151.62 48.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.706 0.289 . . . . 0.0 110.266 179.444 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.1 m -114.27 137.83 51.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.801 0.334 . . . . 0.0 111.435 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.5 156.73 16.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.578 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.0 t -82.54 -32.11 10.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.587 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.454 HD22 ' HA ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -131.93 -69.56 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.818 0.342 . . . . 0.0 110.837 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.0 t -117.92 152.61 35.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.796 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.7 171.37 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.039 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.506 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.8 mm? -92.24 145.3 30.46 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.045 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.98 27.37 0.25 Allowed 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.515 2.143 . . . . 0.0 113.063 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.416 ' H ' ' C ' ' A' ' 24' ' ' LEU . 13.5 mttt -146.83 15.0 1.2 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.936 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.588 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 0.0 OUTLIER -147.78 153.77 39.64 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.095 0.474 . . . . 0.0 111.527 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.5 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 4.4 tp10 -99.72 151.57 21.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.762 179.126 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.455 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 0.6 OUTLIER -88.7 143.05 27.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.067 0.46 . . . . 0.0 111.26 -179.359 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -121.95 -21.92 3.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.097 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -174.86 -179.08 45.21 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.459 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.43 133.72 35.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.706 0.288 . . . . 0.0 110.274 179.636 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 8.4 t -84.56 -42.29 15.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.213 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.754 ' HB3' ' HE ' ' A' ' 38' ' ' ARG . 39.9 p -106.7 -77.6 0.59 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.994 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -169.43 -33.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.154 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.454 HH11 ' HD3' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -166.9 -10.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.16 -179.8 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.56 -15.47 22.79 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.835 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.754 ' HE ' ' HB3' ' A' ' 34' ' ' SER . 61.7 mtm180 -132.49 168.68 17.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.793 0.33 . . . . 0.0 111.075 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.543 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -151.02 173.0 14.83 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.561 -179.859 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 17.1 t -114.96 112.1 22.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.697 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.588 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 0.5 OUTLIER -117.65 133.15 56.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.104 0.478 . . . . 0.0 111.845 -179.571 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.507 HH11 ' HB2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -114.98 130.91 57.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.996 179.071 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -41.63 117.79 0.98 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.308 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.02 158.96 17.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.062 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.276 -0.868 . . . . 0.0 110.881 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.231 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.2 tt -102.17 137.75 28.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.825 0.345 . . . . 0.0 111.116 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.4 tt -140.79 155.5 22.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.228 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -92.77 -61.76 1.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.42 ' HB ' ' H ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -139.17 -80.44 0.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.06 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.456 ' HB2' ' CE1' ' A' ' 9' ' ' TYR . 1.0 OUTLIER -168.86 43.33 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.787 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.432 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 42.5 mt-30 -64.59 -3.79 3.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.007 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -81.91 -16.29 51.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.829 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.456 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -154.56 28.06 0.44 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.674 179.629 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.432 ' HB2' ' HA ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -65.53 -26.32 67.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.348 179.544 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.413 ' SG ' ' HA3' ' A' ' 15' ' ' GLY . 45.8 t -87.19 0.54 55.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.426 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -97.3 -33.07 11.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.707 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.416 HG23 ' HG2' ' A' ' 14' ' ' ARG . 16.5 m -83.66 -35.01 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.314 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.416 ' HG2' HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -156.64 46.79 0.44 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.077 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.413 ' HA3' ' SG ' ' A' ' 11' ' ' CYS . . . -83.52 112.95 3.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.576 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.85 -76.78 0.24 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.446 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 -135.22 176.92 8.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.791 0.329 . . . . 0.0 110.867 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 88.2 m -131.93 138.69 48.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.712 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.85 144.06 28.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.9 t -82.52 -19.55 10.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.371 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.5 mp -125.37 -66.68 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.805 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 91.5 p -147.92 155.33 41.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -48.75 152.09 1.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.212 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.557 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 11.8 mt -92.14 137.03 25.18 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.484 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 24' ' ' LEU . 62.6 Cg_exo -53.43 -17.54 9.4 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.742 2.294 . . . . 0.0 112.995 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -95.1 19.69 10.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.389 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.557 ' CG ' ' HB2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -154.99 160.02 40.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.152 0.501 . . . . 0.0 111.877 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.526 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 11.6 tp10 -109.25 149.87 28.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.806 179.223 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.501 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 1.1 tm0? -86.65 139.88 30.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.085 0.469 . . . . 0.0 111.074 -179.327 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.401 ' CD1' ' HA2' ' A' ' 15' ' ' GLY . 0.6 OUTLIER -119.3 -23.69 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.105 -179.506 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -172.28 -164.38 27.7 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.405 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 mtmm -111.71 111.21 22.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.862 0.363 . . . . 0.0 110.999 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.9 t -65.94 -18.56 65.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.764 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.7 t -153.11 155.11 36.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.954 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.6 t -92.55 17.44 10.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.236 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -107.31 -74.42 0.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.019 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -159.13 49.97 0.4 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.478 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.48 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 22.7 mtt180 -137.79 169.88 17.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.763 0.316 . . . . 0.0 110.723 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -150.21 171.19 17.33 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.736 -179.819 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.501 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 8.7 t -111.94 117.87 33.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.927 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.526 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -119.32 144.4 46.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.014 0.435 . . . . 0.0 111.409 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.67 127.6 45.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.447 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.89 142.1 0.52 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.106 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.682 ' H ' ' HE2' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -60.26 175.12 0.45 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.274 0.559 . . . . 0.0 110.996 -179.761 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.983 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.168 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -164.66 146.16 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.756 0.312 . . . . 0.0 110.712 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.3 tt -166.4 139.52 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.227 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -143.75 -70.48 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.7 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.28 -167.13 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.452 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 0.7 OUTLIER -83.8 119.96 25.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.063 0.459 . . . . 0.0 111.068 -179.875 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.545 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -130.9 -14.83 3.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.217 179.637 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.58 -4.65 57.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.188 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.427 ' CE2' ' HB2' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -153.49 16.61 0.53 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.601 -179.723 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.545 ' HB2' ' HA ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -59.05 -33.03 70.31 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.355 179.693 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.527 ' SG ' ' HA3' ' A' ' 15' ' ' GLY . 0.1 OUTLIER -87.66 -11.15 49.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.148 179.417 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -87.05 -24.87 24.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.917 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.9 m -88.11 -35.72 8.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.756 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -175.09 46.69 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.823 0.344 . . . . 0.0 111.087 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.527 ' HA3' ' SG ' ' A' ' 11' ' ' CYS . . . -72.19 -128.66 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.684 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -173.71 -99.44 0.12 Allowed Glycine 0 N--CA 1.453 -0.19 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.594 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.412 ' HD2' HD23 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -113.35 179.76 3.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.719 0.295 . . . . 0.0 110.718 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -134.24 146.18 49.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.05 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.6 154.35 21.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 38.6 t -82.68 -38.18 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.826 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.23 -63.94 0.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.85 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.61 145.25 45.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.797 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.29 172.19 0.34 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.452 ' HB2' ' HG3' ' A' ' 27' ' ' GLU . 4.5 mm? -93.27 138.93 22.9 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.529 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.89 -17.2 35.7 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.525 2.15 . . . . 0.0 112.684 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -94.16 11.64 29.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.172 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.452 ' HG3' ' HB2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -156.4 155.59 32.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.006 0.432 . . . . 0.0 111.477 -179.805 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.627 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 0.2 OUTLIER -103.42 163.43 12.28 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.106 179.243 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.619 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -88.24 134.8 33.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.999 0.428 . . . . 0.0 111.329 -179.645 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.427 HG23 ' OE2' ' A' ' 28' ' ' GLU . 0.4 OUTLIER -124.55 -19.87 3.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.457 -179.749 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -158.54 -173.44 26.95 Favored Glycine 0 N--CA 1.453 -0.178 0 C-N-CA 120.238 -0.982 . . . . 0.0 113.214 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -114.09 113.02 24.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.869 0.366 . . . . 0.0 110.491 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.2 t -62.7 -17.33 60.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.36 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.414 ' HB3' ' H ' ' A' ' 35' ' ' THR . 5.6 t -139.53 -98.18 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.99 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.414 ' H ' ' HB3' ' A' ' 34' ' ' SER . 0.1 OUTLIER -136.16 -43.07 0.64 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.845 0.355 . . . . 0.0 110.996 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.405 ' H ' ' H ' ' A' ' 37' ' ' GLY . 1.2 ptp180 -161.93 -12.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.831 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.405 ' H ' ' H ' ' A' ' 36' ' ' ARG . . . -81.36 -60.47 2.23 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.416 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.57 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 36.4 mtm180 -94.32 173.24 7.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.715 0.293 . . . . 0.0 110.796 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.57 ' HG3' ' C ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -150.51 173.25 14.29 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.718 -179.885 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.619 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -112.62 130.97 55.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.638 179.738 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.627 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 1.3 m -122.93 133.51 54.39 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -179.277 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.412 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 4.0 ppt_? -111.09 122.7 48.56 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.191 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.1 ttp85 -53.57 141.22 26.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.28 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.88 160.41 28.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.793 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.248 -0.882 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.96 142.48 41.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.912 0.387 . . . . 0.0 111.194 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.47 HG13 ' N ' ' A' ' 4' ' ' ASN . 0.5 OUTLIER -82.64 138.12 19.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.032 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.47 ' N ' HG13 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -128.9 -13.02 4.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.78 179.823 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.56 -173.17 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.01 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.48 ' O ' HD12 ' A' ' 6' ' ' LEU . 1.2 pp -161.71 41.21 0.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.587 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -66.08 -2.05 3.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.866 179.562 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.36 -13.28 57.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.092 0.472 . . . . 0.0 110.392 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.496 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -154.33 13.28 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.527 179.401 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.587 ' HB2' ' HA ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -60.49 -45.78 92.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.04 179.367 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -80.15 -5.11 55.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.775 178.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.496 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 5.7 ttm180 -82.98 -44.3 15.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.713 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.816 HG23 ' HG2' ' A' ' 14' ' ' ARG . 34.7 m -64.28 -30.29 49.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.91 0.386 . . . . 0.0 110.806 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.816 ' HG2' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -144.35 -71.33 0.28 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.51 179.377 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 51.23 90.2 0.01 OUTLIER Glycine 0 C--N 1.332 0.319 0 C-N-CA 121.208 -0.52 . . . . 0.0 112.806 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.09 -85.79 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.612 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -126.76 179.24 5.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.668 0.271 . . . . 0.0 110.503 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 87.0 m -134.0 139.56 46.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 111.237 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.99 172.4 6.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.773 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.478 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 15.2 t -83.41 -47.6 18.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.235 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.4 tp -135.13 -49.72 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.117 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.0 p -117.99 140.72 49.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.78 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.96 176.39 0.21 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.242 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.457 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 4.3 mm? -92.05 149.15 38.25 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.868 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.61 27.07 0.39 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.747 2.298 . . . . 0.0 112.645 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -142.32 2.15 1.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.445 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.457 ' CG ' ' HB2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -143.07 144.86 32.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.18 -179.816 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.615 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 7.2 pt-20 -92.64 161.77 14.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.25 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.595 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 16.9 tt0 -91.18 141.82 28.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.994 0.426 . . . . 0.0 111.672 -179.329 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.452 HG13 ' HB2' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -121.44 -22.08 3.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.171 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -175.18 -161.01 24.05 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.788 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -111.15 118.55 36.28 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.855 0.359 . . . . 0.0 110.364 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.9 t -70.56 -48.22 56.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.348 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.08 152.13 46.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.983 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.7 t -74.62 -15.74 60.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.174 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.9 mtt180 -64.99 -65.71 0.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.34 45.91 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.496 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.558 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 20.4 mtm-85 -116.77 179.06 4.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.737 0.303 . . . . 0.0 110.744 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.558 ' HG3' ' C ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -149.81 166.91 28.05 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.953 -179.704 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.595 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 0.2 OUTLIER -108.28 119.88 40.76 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.245 179.88 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.615 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -116.67 129.66 56.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.525 -179.869 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.442 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -115.7 130.28 56.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.415 179.482 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -50.02 133.72 22.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.392 -179.379 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.41 ' HG3' ' HA ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -124.45 129.12 50.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.878 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.782 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.92 162.36 39.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.837 0.351 . . . . 0.0 110.921 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.606 HD13 ' H ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -115.79 143.13 26.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 179.705 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -80.53 -33.11 36.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.756 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.5 p -59.37 138.66 57.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.823 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.475 ' HB2' ' CE2' ' A' ' 9' ' ' TYR . 1.0 OUTLIER -102.84 41.17 1.27 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.102 0.477 . . . . 0.0 110.999 -179.778 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -64.55 -4.74 4.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.076 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -84.17 -13.41 52.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.235 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.475 ' CE2' ' HB2' ' A' ' 6' ' ' LEU . 4.8 p90 -155.14 29.86 0.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.939 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.29 -35.0 71.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.503 179.68 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.721 ' HA ' ' HA3' ' A' ' 15' ' ' GLY . 5.8 t -81.63 7.24 12.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.433 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.488 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -107.57 -24.25 11.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.708 -179.719 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.552 HG23 ' HG2' ' A' ' 14' ' ' ARG . 27.9 m -91.29 -33.94 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.764 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.552 ' HG2' HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -169.43 33.66 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.819 0.343 . . . . 0.0 110.899 -179.764 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.721 ' HA3' ' HA ' ' A' ' 11' ' ' CYS . . . -72.63 139.79 28.15 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.774 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.83 -100.64 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.534 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.443 HH11 ' HD3' ' A' ' 17' ' ' ARG . 4.7 ptp180 -105.46 172.06 6.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.814 0.34 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.9 m -133.52 136.61 45.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.077 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -103.46 167.07 10.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.7 t -84.13 -42.76 17.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.342 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.1 -80.34 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.744 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 40.6 t -104.53 150.8 24.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.74 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.21 175.72 0.69 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.557 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 3.6 mm? -93.73 148.26 35.05 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.423 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -68.52 -15.43 41.57 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.445 2.096 . . . . 0.0 113.009 -179.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.468 ' O ' ' HD3' ' A' ' 44' ' ' LYS . 0.6 OUTLIER -94.61 1.25 55.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.66 0.267 . . . . 0.0 111.313 -179.711 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.596 ' HB3' ' N ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -142.42 146.86 35.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.057 0.456 . . . . 0.0 111.667 -179.79 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.542 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 2.1 pt-20 -92.07 162.11 14.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.157 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.635 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 1.9 tt0 -91.46 136.06 33.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.923 0.392 . . . . 0.0 111.013 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -119.81 -15.2 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.317 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -179.74 -156.06 16.82 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.726 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 39' ' ' LYS . 16.7 mttp -125.35 104.38 8.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.857 0.36 . . . . 0.0 110.634 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.3 t -52.84 -63.29 1.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.359 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.0 t -102.38 163.0 12.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.8 p -97.66 -0.41 45.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.4 mmm-85 -77.61 -41.85 37.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.963 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 156.59 49.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.326 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.566 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 11.2 mtt180 -124.67 -174.49 3.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.88 0.371 . . . . 0.0 111.03 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.566 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -149.35 164.96 33.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.921 -179.781 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.635 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 6.5 t -109.28 131.42 55.08 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.058 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 1.5 m -118.76 145.14 45.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.454 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.439 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -128.29 108.5 10.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.377 179.76 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.596 ' N ' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -52.97 137.43 32.74 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.236 -179.403 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.533 ' HE3' ' HB3' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -119.65 66.66 0.81 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.183 0.516 . . . . 0.0 110.93 179.789 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.874 179.906 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.225 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -125.25 78.15 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.855 0.359 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.729 HG12 HD23 ' A' ' 6' ' ' LEU . 1.7 tt -157.1 99.78 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.969 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -109.53 51.61 0.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.138 -179.684 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.649 HG22 HG13 ' A' ' 3' ' ' ILE . 5.3 t -125.8 -13.48 6.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.267 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.729 HD23 HG12 ' A' ' 3' ' ' ILE . 0.9 OUTLIER -88.94 38.19 0.87 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.01 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -66.08 -0.54 2.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.69 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -82.2 -25.0 34.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.328 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.454 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 1.4 p90 -150.65 34.67 0.62 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.349 -0.842 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.76 -19.88 61.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.364 179.475 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.728 ' HA ' ' HA3' ' A' ' 15' ' ' GLY . 0.1 OUTLIER -91.95 0.54 57.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.569 179.686 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.08 -13.22 15.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.67 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.5 m -100.8 -37.54 5.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.31 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -164.35 30.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.728 ' HA3' ' HA ' ' A' ' 11' ' ' CYS . . . -72.24 132.3 18.58 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.53 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.39 -91.66 0.23 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.58 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -122.13 -174.95 3.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.734 0.302 . . . . 0.0 110.722 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 74.9 m -132.43 142.58 49.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.34 154.27 18.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.2 t -83.07 -36.55 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.419 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.495 HD12 ' H ' ' A' ' 22' ' ' SER . 0.1 OUTLIER -130.98 -62.67 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.62 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.495 ' H ' HD12 ' A' ' 21' ' ' LEU . 63.3 p -122.84 147.85 46.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.476 179.538 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -55.32 171.45 0.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.232 -179.699 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.436 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 4.3 mm? -90.0 146.46 35.15 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.692 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 24' ' ' LEU . 11.8 Cg_exo -71.34 25.28 0.23 Allowed 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.947 2.431 . . . . 0.0 112.995 -179.409 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.42 ' H ' ' C ' ' A' ' 24' ' ' LEU . 11.9 mmtt -144.82 9.15 1.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.755 0.312 . . . . 0.0 110.944 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.428 ' CG ' ' HB2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -147.72 142.4 26.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.219 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.555 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 17.1 tp10 -89.69 158.37 17.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.253 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.618 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 1.6 tm0? -88.71 137.96 31.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.926 0.393 . . . . 0.0 111.018 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.412 ' CD1' ' HA2' ' A' ' 15' ' ' GLY . 0.2 OUTLIER -117.42 -25.54 2.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.124 -179.629 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -175.65 -171.8 39.89 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.589 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -99.97 111.77 24.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.339 . . . . 0.0 110.745 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.7 t -57.93 -39.15 77.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.126 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -111.59 -163.84 0.88 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.917 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 p -71.29 -47.29 57.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.122 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -166.48 138.17 3.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.98 -44.76 1.42 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.662 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.0 mtm-85 -97.56 -178.65 4.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.844 0.354 . . . . 0.0 111.122 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.401 ' HB2' ' HG3' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -154.48 173.06 16.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.22 -179.724 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.618 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 1.5 m -116.11 125.13 51.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.662 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.522 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 1.5 m -118.5 134.86 54.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.965 0.412 . . . . 0.0 111.579 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.71 129.84 52.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.246 179.38 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.03 133.33 3.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.53 -179.304 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.34 165.74 21.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.987 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.301 -0.856 . . . . 0.0 110.841 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.164 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.6 mm -91.45 140.72 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.778 0.323 . . . . 0.0 111.122 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.3 pp -110.34 149.87 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.231 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -95.06 -73.59 0.58 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.011 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.7 p -67.97 122.19 17.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.224 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.456 ' HB2' ' CE2' ' A' ' 9' ' ' TYR . 0.9 OUTLIER -76.41 125.7 29.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.09 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.587 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -138.81 -16.81 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.321 179.678 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.3 mmtt -81.78 -3.37 53.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.743 179.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.456 ' CE2' ' HB2' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -152.73 21.42 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.24 179.556 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.587 ' HB2' ' HA ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -63.2 -35.47 80.43 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.129 179.484 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.401 ' HA ' ' CA ' ' A' ' 15' ' ' GLY . 1.3 t -85.24 0.95 50.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.247 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -94.88 -38.42 10.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.81 HG23 ' HG2' ' A' ' 14' ' ' ARG . 10.4 m -73.36 -25.5 21.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.053 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.81 ' HG2' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -160.98 -63.84 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.449 179.732 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.679 ' HA2' HD12 ' A' ' 30' ' ' ILE . . . 53.67 -145.53 23.81 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 121.007 -0.616 . . . . 0.0 113.079 179.58 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -173.69 -93.0 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 121.091 -0.576 . . . . 0.0 112.256 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -123.47 173.11 8.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.755 0.312 . . . . 0.0 110.689 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.8 m -130.43 135.63 48.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.982 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -103.39 167.07 10.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.106 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 36.8 t -83.2 -46.89 18.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.065 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.426 ' O ' ' HD2' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -120.77 -78.23 0.59 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.562 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.3 t -104.11 153.83 20.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.509 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.21 174.82 0.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.467 ' HB2' ' HG3' ' A' ' 27' ' ' GLU . 3.2 mm? -90.32 136.97 27.89 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.729 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 24' ' ' LEU . 52.4 Cg_exo -55.68 -21.48 32.03 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.784 2.323 . . . . 0.0 113.15 -179.295 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.1 mtmm -93.28 13.95 19.78 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.757 0.313 . . . . 0.0 111.298 -179.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.584 ' HB3' ' HA ' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -156.2 166.66 32.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.147 0.499 . . . . 0.0 111.698 -179.858 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.539 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 1.5 pt-20 -113.52 165.38 12.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.802 179.208 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.593 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 6.5 tt0 -88.45 137.04 32.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.082 0.467 . . . . 0.0 111.157 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.679 HD12 ' HA2' ' A' ' 15' ' ' GLY . 0.2 OUTLIER -119.82 -21.87 4.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.026 -179.486 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -167.15 -148.98 5.82 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.572 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.584 ' HA ' ' HA ' ' A' ' 39' ' ' LYS . 1.6 ptmm? -136.26 105.35 5.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.823 0.344 . . . . 0.0 110.836 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.6 t -61.51 -33.2 73.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.941 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.404 ' OG ' ' HD2' ' A' ' 38' ' ' ARG . 0.8 OUTLIER -144.21 143.87 31.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.7 p -91.5 11.46 23.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.081 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -92.14 -13.19 31.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.776 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.73 44.29 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.427 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.591 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 21.1 mtt180 -138.82 175.65 9.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.666 0.27 . . . . 0.0 110.874 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.591 ' HG3' ' C ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -150.94 169.91 20.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.799 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.593 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 1.3 m -106.96 134.97 49.31 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.089 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.539 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 8.5 m -113.69 155.64 25.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.116 0.484 . . . . 0.0 111.677 -179.7 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.479 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 11.0 tpp180 -132.25 104.67 6.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.841 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.584 ' HA ' ' HB3' ' A' ' 27' ' ' GLU . 8.3 ttp180 -56.73 142.71 39.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.673 -178.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.489 ' HE2' ' HG2' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -102.58 171.18 7.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.908 179.819 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.142 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.3 mt -121.54 143.61 33.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.715 0.293 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -62.25 135.35 26.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.855 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -60.5 -58.01 10.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.201 -179.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.634 HG22 ' HG3' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -76.19 91.97 3.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.425 -179.72 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.474 ' HB2' ' CE1' ' A' ' 9' ' ' TYR . 0.9 OUTLIER -108.24 39.49 1.96 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.631 179.622 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.634 ' HG3' HG22 ' A' ' 5' ' ' THR . 24.3 mt-30 -64.33 -4.42 3.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.066 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.28 -14.99 54.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.86 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.474 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 2.2 p90 -157.19 29.65 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.06 179.566 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.417 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -67.95 -40.64 83.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.588 179.762 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.5 t -80.26 2.04 26.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.997 179.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 12' ' ' ARG . 5.6 ttt-85 -96.14 -45.43 6.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.648 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.601 HG23 ' CG ' ' A' ' 14' ' ' ARG . 19.7 m -57.47 -29.15 32.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 121.041 0.448 . . . . 0.0 110.647 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.601 ' CG ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -149.24 -67.68 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.172 179.157 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.06 101.88 0.01 OUTLIER Glycine 0 C--N 1.331 0.3 0 C-N-CA 121.161 -0.542 . . . . 0.0 113.0 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.3 -83.35 0.15 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.581 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.447 HH11 ' HD2' ' A' ' 17' ' ' ARG . 1.3 ptm85 -136.29 166.63 22.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.792 0.33 . . . . 0.0 110.85 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 68.8 m -114.21 134.85 54.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.659 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.8 159.61 14.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.945 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.443 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 22.7 t -83.56 -48.98 16.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.405 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 tp -118.78 -54.47 2.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.962 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.38 150.03 52.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.808 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -57.41 172.57 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.272 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.58 HD13 ' HD2' ' A' ' 25' ' ' PRO . 2.7 mm? -93.37 140.73 23.3 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.643 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.58 ' HD2' HD13 ' A' ' 24' ' ' LEU . 21.0 Cg_endo -60.84 -17.73 52.31 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.688 2.258 . . . . 0.0 112.74 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.451 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 8.4 mttt -95.8 13.95 24.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.52 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.487 ' HG3' ' HB2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -154.02 146.34 23.89 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.828 0.347 . . . . 0.0 111.39 179.885 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.542 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 4.1 pt-20 -95.71 159.67 14.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.871 179.173 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.506 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 13.4 tt0 -88.97 141.18 28.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.035 0.445 . . . . 0.0 111.375 -179.512 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.32 -21.24 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.117 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -169.64 -155.67 10.22 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.541 -0.838 . . . . 0.0 112.997 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.6 mttp -114.6 102.6 10.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.882 0.373 . . . . 0.0 110.338 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -63.91 -8.67 11.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.347 -179.616 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.2 t -138.86 -96.22 0.17 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.167 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.404 HG23 ' H ' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -137.88 -63.42 0.57 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.02 -179.864 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.404 ' H ' HG23 ' A' ' 35' ' ' THR . 20.6 ttp-105 -150.03 -20.76 0.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.946 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.51 -37.51 17.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.46 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.562 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 3.5 mtt180 -109.09 173.92 6.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.639 0.256 . . . . 0.0 110.669 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.562 ' HG3' ' C ' ' A' ' 38' ' ' ARG . 1.4 mptt -150.44 169.39 21.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.899 0.38 . . . . 0.0 110.932 -179.559 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.506 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 11.5 t -106.52 123.05 47.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.638 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -120.6 136.82 54.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.905 0.383 . . . . 0.0 111.741 -179.26 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.469 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -112.42 122.79 48.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.312 179.353 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.427 ' N ' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -50.2 146.48 5.0 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.48 -179.273 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -55.61 148.2 16.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.11 -179.845 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.893 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.229 0 N-CA-C 112.546 -0.222 . . . . 0.0 112.546 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.8 mm -93.86 125.88 46.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.77 0.319 . . . . 0.0 111.199 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.5 tt -112.88 138.18 43.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -57.33 -52.98 63.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.8 m -137.79 134.1 34.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.482 ' HB2' ' CE1' ' A' ' 9' ' ' TYR . 1.2 pp -131.92 39.42 3.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.966 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -65.04 -2.55 2.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.023 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.406 ' HB2' ' CD2' ' A' ' 9' ' ' TYR . 4.6 mmmm -83.73 -14.7 51.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.482 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 0.4 OUTLIER -154.89 25.31 0.44 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.209 179.764 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.52 -24.94 66.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.993 0.425 . . . . 0.0 110.388 179.461 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.0 t -88.69 -1.2 57.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.582 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.8 mmm-85 -98.49 -24.28 15.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.761 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.69 HG23 ' HG3' ' A' ' 14' ' ' ARG . 16.0 m -86.45 -29.71 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.338 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.69 ' HG3' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -166.88 42.12 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.874 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.6 133.8 25.7 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.719 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.01 -101.05 0.92 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.569 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.0 ptm85 -106.77 -174.84 2.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.737 0.303 . . . . 0.0 110.952 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.7 m -137.22 133.79 35.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.065 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.68 164.34 11.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.533 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 9.5 t -83.4 -49.16 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.378 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.53 -40.36 0.8 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.626 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.88 138.56 51.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.727 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.67 171.06 1.23 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.979 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.453 ' HB2' ' HG2' ' A' ' 27' ' ' GLU . 55.6 mt -90.21 147.61 37.33 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.931 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.64 -14.7 46.04 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.576 2.184 . . . . 0.0 112.613 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -94.24 1.32 56.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.344 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.473 ' HG3' ' HB2' ' A' ' 41' ' ' CYS . 0.0 OUTLIER -147.22 143.53 28.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.031 0.443 . . . . 0.0 111.675 -179.577 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.614 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 0.0 OUTLIER -93.01 165.14 13.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.215 179.368 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.599 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 0.8 OUTLIER -90.05 137.07 32.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.003 0.43 . . . . 0.0 111.301 -179.643 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.559 HG23 ' OE2' ' A' ' 28' ' ' GLU . 0.3 OUTLIER -121.51 -21.32 3.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.125 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -168.08 -159.03 12.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.774 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -117.92 116.83 27.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.815 0.341 . . . . 0.0 110.793 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 46.5 t -71.23 -6.7 41.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.786 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.7 t -156.88 174.56 15.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.786 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -57.4 -38.93 75.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.087 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -171.6 145.34 2.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.922 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 107.57 -35.33 5.07 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.913 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.561 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 17.1 mtt180 -117.67 172.56 7.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.902 0.382 . . . . 0.0 111.239 -179.618 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.561 ' HG3' ' C ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -150.04 171.97 15.99 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.512 -179.868 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.599 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 26.0 m -109.36 123.83 49.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.864 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.614 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -115.8 131.89 56.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.709 -179.421 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -117.18 126.28 52.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.185 179.22 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.88 134.23 25.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.34 -179.24 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.19 162.34 23.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.91 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 112.552 -0.219 . . . . 0.0 112.552 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.6 mt -121.71 114.35 42.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.758 0.313 . . . . 0.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -130.32 136.71 57.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.208 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -134.46 -25.04 1.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.27 -88.67 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.546 ' O ' HD12 ' A' ' 6' ' ' LEU . 1.5 pp -172.23 30.99 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.06 0.457 . . . . 0.0 110.775 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -65.4 0.55 1.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.808 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.418 ' H ' ' C ' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -82.18 -14.12 56.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 -179.872 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -154.75 22.48 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.304 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.43 -51.13 60.13 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.162 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.7 t -71.89 -15.48 62.11 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 178.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -87.47 -22.85 24.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.824 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.718 HG12 ' HG2' ' A' ' 14' ' ' ARG . 0.4 OUTLIER -81.84 -22.81 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.683 -179.873 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.718 ' HG2' HG12 ' A' ' 13' ' ' VAL . 1.0 OUTLIER -156.03 -60.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.496 179.474 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.78 88.51 0.01 OUTLIER Glycine 0 C--N 1.332 0.316 0 CA-C-N 116.035 -0.53 . . . . 0.0 113.091 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.26 -91.68 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.011 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.51 163.36 15.87 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 179.426 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.7 m -132.39 134.24 44.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.878 0.371 . . . . 0.0 111.303 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.487 ' O ' ' HG2' ' A' ' 38' ' ' ARG . . . -101.44 155.67 17.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.566 179.62 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.5 t -82.47 -22.71 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.36 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.27 -86.81 0.54 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.016 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.9 t -110.52 153.11 25.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.808 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -61.86 168.36 3.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.485 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 31.9 mt -91.07 146.58 33.9 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.972 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -66.84 -11.66 32.94 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.431 2.088 . . . . 0.0 112.308 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.79 0.3 54.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.048 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.485 ' CG ' ' HB2' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -146.7 150.08 34.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.102 0.477 . . . . 0.0 111.615 -179.795 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.566 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 2.7 pt-20 -96.97 164.34 12.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.168 179.405 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.532 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -89.07 139.39 30.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.058 0.456 . . . . 0.0 111.216 -179.531 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -118.67 -20.18 5.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.128 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 175.79 154.1 11.11 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.46 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -67.51 123.93 21.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.849 0.357 . . . . 0.0 110.78 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.403 ' H ' ' HA ' ' A' ' 39' ' ' LYS . 6.6 t -71.35 -30.51 66.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.943 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.5 m -154.62 174.64 14.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.9 p -96.64 -7.8 33.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.195 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.7 mtm180 -74.84 -44.11 50.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 155.33 47.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.502 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.565 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 5.1 mtt180 -125.93 171.38 10.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.663 0.268 . . . . 0.0 110.815 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.565 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 0.2 OUTLIER -150.82 163.38 38.77 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.904 0.383 . . . . 0.0 111.063 -179.708 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.532 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 57.0 m -108.25 127.2 53.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.79 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.566 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.5 OUTLIER -117.6 137.59 52.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.047 0.451 . . . . 0.0 111.826 -179.506 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.41 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 0.6 OUTLIER -117.46 118.59 32.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.032 179.347 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.432 ' N ' ' HB3' ' A' ' 27' ' ' GLU . 9.4 mtp180 -52.05 141.79 17.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.313 -179.29 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.2 mmtp -53.71 119.81 5.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.214 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.205 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.584 HG13 ' H ' ' A' ' 3' ' ' ILE . 0.8 OUTLIER -165.18 171.65 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.766 0.317 . . . . 0.0 111.09 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.584 ' H ' HG13 ' A' ' 2' ' ' ILE . 0.9 OUTLIER -70.82 135.26 28.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.133 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -62.75 -35.48 79.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.731 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.553 ' HB ' ' HG3' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -102.04 178.79 4.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.882 179.889 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.497 ' HB2' ' CE1' ' A' ' 9' ' ' TYR . 1.0 OUTLIER -111.58 38.04 2.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.955 0.407 . . . . 0.0 110.933 179.895 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.571 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 6.5 mt-30 -65.58 -2.29 3.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.85 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.93 -14.44 57.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.006 0.431 . . . . 0.0 110.446 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.497 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -155.21 15.09 0.4 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.462 179.213 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.571 ' HB2' ' HA ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -63.92 -32.03 73.42 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.429 ' O ' ' HA3' ' A' ' 15' ' ' GLY . 0.0 OUTLIER -91.21 15.27 12.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.803 179.132 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.495 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -110.42 -28.1 8.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.489 -179.854 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.4 m -84.45 -28.03 6.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.438 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -156.4 12.77 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.935 0.398 . . . . 0.0 110.438 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.429 ' HA3' ' O ' ' A' ' 11' ' ' CYS . . . -73.04 146.25 37.71 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.671 -179.706 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.42 -75.47 1.1 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.959 -0.639 . . . . 0.0 112.643 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -133.69 -171.5 2.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.853 0.359 . . . . 0.0 111.041 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 m -132.73 143.78 49.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.969 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.63 167.06 10.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.021 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.438 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -83.93 -45.86 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.44 -179.688 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.444 ' HA ' ' O ' ' A' ' 37' ' ' GLY . 0.1 OUTLIER -127.13 -60.54 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.784 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.88 154.95 35.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.829 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.469 ' SG ' ' HG3' ' A' ' 29' ' ' GLN . 0.5 OUTLIER -52.83 166.12 0.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.927 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.577 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 3.0 mm? -91.05 148.55 38.21 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.579 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.457 ' C ' ' HG2' ' A' ' 26' ' ' LYS . 13.4 Cg_exo -70.57 22.47 0.2 Allowed 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.92 2.414 . . . . 0.0 113.003 -179.322 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.457 ' HG2' ' C ' ' A' ' 25' ' ' PRO . 3.7 mttm -144.01 19.8 1.78 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.644 0.259 . . . . 0.0 111.114 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.609 ' HA ' ' HG3' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -153.25 160.06 42.7 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.951 0.405 . . . . 0.0 111.807 -179.874 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.597 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 5.0 pt-20 -106.44 153.77 21.78 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.768 179.091 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.558 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -88.67 137.98 31.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.141 0.496 . . . . 0.0 111.558 -179.164 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.463 HD12 ' HG2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -123.86 -22.1 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.958 -179.844 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -162.46 -162.25 13.23 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.748 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -125.17 108.38 11.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.805 0.336 . . . . 0.0 110.716 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 t -60.36 -23.01 63.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.095 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 p -139.6 166.65 24.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.6 p -59.82 -40.25 87.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.08 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -167.28 103.26 0.53 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.444 ' O ' ' HA ' ' A' ' 21' ' ' LEU . . . 149.63 -34.12 1.06 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.43 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.535 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 10.3 mtm180 -123.49 172.7 8.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.718 0.294 . . . . 0.0 110.777 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.535 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 3.1 mptp? -150.91 173.07 14.7 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.766 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.558 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 57.2 m -110.46 112.22 24.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.097 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.597 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -120.59 131.55 54.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.961 0.41 . . . . 0.0 111.4 179.73 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.467 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -111.74 129.83 55.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.482 179.509 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.84 136.27 22.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.376 -179.386 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.609 ' HG3' ' HA ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -116.38 133.34 56.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.901 179.855 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 pttt . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.882 -179.979 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 N-CA-C 112.422 -0.271 . . . . 0.0 112.422 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 35.8 mm -71.63 136.15 26.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.722 0.296 . . . . 0.0 110.91 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.431 HG12 HG22 ' A' ' 5' ' ' THR . 7.0 tt -106.06 145.33 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -143.16 62.02 1.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.19 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.431 HG22 HG12 ' A' ' 3' ' ' ILE . 9.6 t -132.02 -20.52 2.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.299 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.496 ' HB2' ' CE1' ' A' ' 9' ' ' TYR . 1.1 pp -97.0 36.44 1.42 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.437 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 4.4 mt-30 -65.61 -1.0 2.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.657 179.362 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.06 -15.32 56.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.643 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.499 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -155.2 17.38 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.977 179.748 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.437 ' HB2' ' HA ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -66.08 -28.7 69.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.114 0.483 . . . . 0.0 109.745 179.254 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.542 ' O ' ' HA3' ' A' ' 15' ' ' GLY . 57.5 m -87.04 8.38 23.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.936 179.041 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.499 ' HB2' ' O ' ' A' ' 9' ' ' TYR . 6.6 mmm180 -103.26 -27.37 12.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.346 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.3 m -94.66 -30.43 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.25 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.407 ' HD3' HH11 ' A' ' 14' ' ' ARG . 1.9 mtt-85 -144.97 26.02 1.39 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.542 ' HA3' ' O ' ' A' ' 11' ' ' CYS . . . -71.13 108.92 2.64 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.681 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.71 -82.27 0.37 Allowed Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.225 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -130.57 174.06 10.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.794 0.331 . . . . 0.0 110.787 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 97.5 m -131.11 142.83 50.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.974 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.22 158.51 15.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.413 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 22.4 t -83.55 -48.15 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.491 -179.601 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -111.77 -55.3 2.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.123 -179.714 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.6 p -142.48 150.64 40.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.17 163.65 1.53 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.014 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.524 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 9.2 mt -93.21 141.19 23.7 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.046 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 24' ' ' LEU . 33.3 Cg_exo -60.53 -16.23 41.2 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.652 2.234 . . . . 0.0 112.553 -179.608 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.3 mmtt -91.86 6.91 44.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.984 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.524 ' CG ' ' HB2' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -149.86 143.82 25.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.845 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.565 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 11.0 pt-20 -94.19 157.18 16.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.364 179.541 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.561 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 5.0 tt0 -89.47 140.64 29.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.04 0.448 . . . . 0.0 111.143 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -120.43 -22.4 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.14 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -166.6 -159.16 11.9 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.795 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -120.52 114.83 22.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 110.702 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.1 t -68.06 -9.04 43.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.944 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.449 ' OG ' ' HB2' ' A' ' 38' ' ' ARG . 0.1 OUTLIER -163.84 -83.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.73 179.85 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.7 p -133.12 -159.27 0.95 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 36' ' ' ARG . 12.0 ptt-85 -61.96 -20.66 64.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.024 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.77 -69.97 1.27 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.788 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.596 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 12.8 mtt85 -89.3 162.91 15.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.841 0.353 . . . . 0.0 111.084 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.596 ' HG3' ' C ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -151.17 175.52 12.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.695 -179.908 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.561 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 1.8 m -107.73 121.2 44.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.27 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.565 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -115.88 141.23 48.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.258 -179.91 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.1 ppt_? -120.84 125.21 46.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.342 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -54.31 133.44 45.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.244 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.24 154.46 50.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.698 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.3 -0.857 . . . . 0.0 110.961 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.5 tt -149.28 143.88 18.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.878 0.37 . . . . 0.0 111.165 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mt -87.25 122.83 39.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.299 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -122.9 -22.73 5.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.761 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.0 146.4 45.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.948 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.448 ' HB2' ' CE1' ' A' ' 9' ' ' TYR . 0.9 OUTLIER -107.85 40.71 1.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.027 -179.871 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -64.74 -3.3 3.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.2 mmtm -82.53 -17.45 44.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.782 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.448 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 5.6 p90 -156.19 32.93 0.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.954 179.718 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.58 -36.8 68.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.717 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.446 ' O ' ' HA3' ' A' ' 15' ' ' GLY . 15.0 t -80.82 15.87 1.63 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.436 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -114.28 -38.65 4.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.726 179.834 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.5 m -81.76 -29.48 10.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.166 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.8 mtt85 -144.65 19.81 1.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.446 ' HA3' ' O ' ' A' ' 11' ' ' CYS . . . -62.16 126.07 37.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.537 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -104.29 -79.68 1.34 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.513 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.449 HH11 ' HD3' ' A' ' 17' ' ' ARG . 3.7 ptp180 -133.02 175.96 8.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.806 0.336 . . . . 0.0 111.09 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 68.9 m -128.36 145.02 51.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.758 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.12 176.34 5.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.224 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.3 t -84.95 -49.43 15.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.467 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.8 tt -130.76 -51.94 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.81 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -123.18 154.0 39.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.762 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.42 ' H ' ' NZ ' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -53.84 169.25 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.327 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.484 ' HB2' ' HG3' ' A' ' 27' ' ' GLU . 4.5 mm? -89.2 152.36 47.83 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.588 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -73.56 23.66 0.33 Allowed 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.66 2.24 . . . . 0.0 113.114 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -146.91 22.26 1.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.939 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.495 ' HA ' ' HD3' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -157.81 162.7 38.46 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.075 0.464 . . . . 0.0 111.801 -179.648 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.554 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 0.0 OUTLIER -110.75 158.94 18.09 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.818 178.867 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.472 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -88.59 140.99 28.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.062 0.458 . . . . 0.0 111.519 -179.364 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.28 -25.62 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.652 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.449 ' O ' ' HB2' ' A' ' 40' ' ' CYS . . . 169.94 158.91 14.57 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.537 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.18 132.45 53.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.805 0.336 . . . . 0.0 110.59 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 54.0 t -83.09 -39.67 20.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.389 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.6 m -138.28 -87.64 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.036 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.0 p -108.15 -160.94 0.75 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.16 18.34 1.41 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -113.35 -35.78 1.56 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.513 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.601 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 9.6 mtm-85 -110.33 166.12 11.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.712 0.291 . . . . 0.0 110.807 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.601 ' HG3' ' C ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -149.8 173.19 14.01 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.854 -179.791 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.472 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 19.1 m -107.46 120.22 41.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.396 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.554 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -116.78 135.65 53.58 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.087 0.47 . . . . 0.0 111.175 179.258 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.422 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 0.6 OUTLIER -110.56 116.15 30.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.453 -179.83 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.45 ' HA ' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -47.77 144.78 3.16 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.952 0.406 . . . . 0.0 111.397 -179.495 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.495 ' HD3' ' HA ' ' A' ' 27' ' ' GLU . 11.9 mmtt -70.16 118.94 13.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.885 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.135 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.5 ' H ' HG13 ' A' ' 2' ' ' ILE . 1.2 mt -78.32 124.63 37.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.845 0.355 . . . . 0.0 111.083 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.458 HG13 ' H ' ' A' ' 4' ' ' ASN . 0.5 OUTLIER -76.36 158.71 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.272 -179.892 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.458 ' H ' HG13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -131.84 -65.31 0.75 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.898 179.887 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.42 -174.73 2.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.084 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.44 ' O ' HD12 ' A' ' 6' ' ' LEU . 1.1 pp -119.36 43.15 2.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.017 0.436 . . . . 0.0 111.129 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -66.17 -3.29 5.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.108 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.36 -12.69 54.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.386 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.433 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -155.48 21.36 0.41 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.335 179.828 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.459 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -59.63 -49.52 77.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.836 0.35 . . . . 0.0 110.601 179.609 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.8 t -81.85 3.01 27.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.108 0.48 . . . . 0.0 110.226 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.4 ttm-85 -93.33 -34.56 13.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.784 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.535 HG23 ' CG ' ' A' ' 14' ' ' ARG . 30.0 m -73.82 -31.83 32.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.157 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.535 ' CG ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -161.81 -62.02 0.05 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.822 179.662 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.473 ' H ' ' HG3' ' A' ' 14' ' ' ARG . . . 56.7 -137.29 48.66 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.516 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -167.82 -100.73 0.14 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.337 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.16 151.02 36.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.707 0.289 . . . . 0.0 110.563 179.709 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 57.4 m -108.11 137.65 45.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.013 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.35 153.87 18.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.768 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 37.8 t -82.51 -33.89 11.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.266 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -128.46 -62.52 1.03 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.69 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.9 146.69 51.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.478 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.41 173.7 0.17 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.084 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.443 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 4.5 mm? -91.87 145.82 31.76 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.856 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -66.58 -14.74 45.23 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.618 2.212 . . . . 0.0 112.652 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.98 -2.02 53.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.188 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.448 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 0.0 OUTLIER -138.04 146.08 42.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.117 0.484 . . . . 0.0 111.573 -179.737 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.428 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 15.7 tp10 -91.84 156.93 17.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.186 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.586 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 4.0 tt0 -89.0 133.88 34.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.004 0.43 . . . . 0.0 110.934 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -118.55 -19.41 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.603 -179.321 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -169.18 -161.98 20.54 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.472 -0.87 . . . . 0.0 113.053 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -115.94 93.79 4.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.889 0.376 . . . . 0.0 110.311 179.7 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -47.26 -35.05 7.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.374 -179.67 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.414 ' HB2' ' HB2' ' A' ' 38' ' ' ARG . 62.2 m -124.05 -169.95 2.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.843 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 76.3 p -64.68 -75.87 0.08 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.406 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -136.16 131.67 34.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.734 0.302 . . . . 0.0 110.691 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 117.95 -58.81 0.5 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.49 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.544 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 0.4 OUTLIER -84.57 170.1 13.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.753 0.311 . . . . 0.0 110.89 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.544 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -150.31 174.08 13.25 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -179.871 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.586 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 9.1 t -108.44 125.69 52.04 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.916 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.448 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 0.8 OUTLIER -113.47 143.03 45.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.244 -179.695 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.401 ' HD3' HH11 ' A' ' 42' ' ' ARG . 0.0 OUTLIER -128.76 122.76 31.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.146 179.862 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -48.46 128.72 15.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.18 -179.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -63.11 166.64 5.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.129 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.98 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.228 0 N-CA-C 112.585 -0.206 . . . . 0.0 112.585 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.8 mm -66.98 91.74 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.799 0.333 . . . . 0.0 111.176 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.599 HD11 ' HB3' ' A' ' 6' ' ' LEU . 1.1 pp -99.2 -177.44 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.098 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.39 -170.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.25 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.06 111.88 1.67 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.051 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.599 ' HB3' HD11 ' A' ' 3' ' ' ILE . 0.6 OUTLIER -93.85 58.24 2.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.966 -179.923 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.409 ' H ' ' HG3' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -66.33 -7.82 21.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.748 179.877 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.07 -19.13 40.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.798 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.429 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -154.86 31.64 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.772 179.667 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.58 -46.08 77.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.554 179.752 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 p -83.61 13.15 4.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.43 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.412 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -107.02 -28.21 10.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.691 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.842 HG23 ' HG2' ' A' ' 14' ' ' ARG . 28.8 m -85.91 -21.05 7.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.487 -179.73 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.842 ' HG2' HG23 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -172.57 33.11 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.885 0.374 . . . . 0.0 110.755 -179.781 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.18 -151.62 1.3 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.797 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -143.05 -89.56 0.11 Allowed Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.581 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.03 162.74 26.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.778 0.323 . . . . 0.0 110.822 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.8 m -117.06 139.35 50.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -99.34 168.73 9.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.95 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.1 t -82.98 -44.36 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.402 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.7 mt -126.42 -77.94 0.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.0 p -102.59 157.49 16.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.647 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.18 170.33 0.34 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.266 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.534 ' HB2' ' HG3' ' A' ' 27' ' ' GLU . 4.1 mm? -88.11 148.83 43.91 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.352 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 24' ' ' LEU . 12.0 Cg_exo -71.25 23.57 0.22 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.022 2.481 . . . . 0.0 113.395 -178.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.13 16.29 1.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.637 0.256 . . . . 0.0 111.134 179.713 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.534 ' HG3' ' HB2' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -151.79 162.22 41.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.158 0.504 . . . . 0.0 111.806 -179.811 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.58 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 8.9 tp10 -107.55 160.53 15.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.677 179.277 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.542 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 0.9 OUTLIER -87.71 134.93 33.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.054 0.454 . . . . 0.0 110.999 -179.648 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -120.27 -22.21 3.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.376 -179.405 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -166.36 -162.5 17.98 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.967 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.85 106.45 9.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.88 0.372 . . . . 0.0 110.602 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -57.01 -24.65 55.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.968 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 m -125.08 176.86 6.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.525 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.414 ' H ' HG22 ' A' ' 35' ' ' THR . 1.0 OUTLIER -66.48 -44.65 82.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.137 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.6 ptm85 -165.25 107.8 0.82 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.784 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 150.68 -54.94 0.47 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.18 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.545 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 21.7 mtm180 -97.41 177.42 5.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.595 0.236 . . . . 0.0 110.559 179.546 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.545 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -150.08 170.18 19.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.888 0.375 . . . . 0.0 110.858 -179.853 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.542 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 1.6 m -113.22 124.81 53.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.544 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.58 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 2.7 m -122.11 128.25 51.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.029 0.442 . . . . 0.0 111.944 -179.45 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.446 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -111.68 131.25 55.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.753 178.939 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -44.39 120.1 2.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.947 0.403 . . . . 0.0 111.544 -179.094 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.2 167.63 13.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.787 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.474 ' O ' HD12 ' A' ' 6' ' ' LEU . 1.2 pp . . . . . 0 C--O 1.23 0.058 0 CA-C-O 121.046 0.451 . . . . 0.0 110.814 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.45 ' H ' ' HG3' ' A' ' 7' ' ' GLN . 2.9 mt-30 -64.84 -2.91 2.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.975 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.06 -15.85 52.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.404 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -154.78 21.4 0.45 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.95 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.412 ' HB2' ' HA ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -61.95 -31.23 71.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.021 0.439 . . . . 0.0 110.242 179.6 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.9 t -93.57 -8.2 41.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.137 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.443 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 1.8 tpp85 -94.74 -20.25 19.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.596 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.1 m -88.28 -32.07 5.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.548 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.78 36.19 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.896 0.379 . . . . 0.0 110.776 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.28 -146.55 0.15 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.732 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -149.25 -97.78 0.18 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.611 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.453 HH22 HH21 ' A' ' 43' ' ' ARG . 1.8 ptp180 -110.35 174.5 5.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.816 0.341 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.8 m -129.84 139.36 51.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.081 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.516 ' O ' ' HG2' ' A' ' 38' ' ' ARG . . . -100.09 158.69 15.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.529 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.0 t -82.59 -38.52 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.309 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.62 -68.27 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.733 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.5 p -112.81 148.89 33.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.343 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.77 173.93 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.104 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.484 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 4.6 mm? -92.11 140.84 24.67 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.552 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 24' ' ' LEU . 36.2 Cg_exo -60.26 -19.33 57.03 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.698 2.265 . . . . 0.0 112.957 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -93.23 7.58 43.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.543 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.484 ' CG ' ' HB2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -150.15 153.95 37.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.057 0.456 . . . . 0.0 111.864 -179.762 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.556 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 7.3 pt-20 -100.19 164.41 11.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.035 179.306 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.623 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 1.6 tt0 -91.16 137.79 32.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.011 0.434 . . . . 0.0 111.078 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -119.22 -22.38 3.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.385 -179.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 179.06 -177.54 48.49 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.431 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -83.56 130.16 34.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.788 0.328 . . . . 0.0 110.591 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.467 ' HB2' ' O ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -97.48 9.78 41.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.313 -179.571 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.412 ' HB2' ' NE ' ' A' ' 38' ' ' ARG . 5.0 t -151.78 -97.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.833 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.41 ' H ' ' HB3' ' A' ' 34' ' ' SER . 1.4 t -171.59 -27.51 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.623 0.249 . . . . 0.0 111.46 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -166.73 108.56 0.69 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.526 -179.865 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.12 -6.94 40.32 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 120.765 -0.731 . . . . 0.0 113.467 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.581 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 47.0 mtp180 -129.39 164.56 23.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.892 0.377 . . . . 0.0 111.445 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.581 ' HG3' ' C ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -150.73 174.97 12.42 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.52 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.623 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 49.8 t -112.45 136.25 52.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.206 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.556 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 1.7 m -123.72 140.38 53.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.43 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.407 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -124.62 120.22 31.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.294 179.384 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.453 HH21 HH22 ' A' ' 17' ' ' ARG . 0.2 OUTLIER -50.24 133.12 24.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.449 -179.213 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.828 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 9' ' ' TYR . 1.1 pp . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.954 0.407 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -64.39 -4.41 3.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -82.39 -14.94 54.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.423 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 6' ' ' LEU . 19.4 p90 -155.92 28.32 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -73.2 -35.74 66.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.954 0.407 . . . . 0.0 110.303 179.471 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.579 ' SG ' ' HA3' ' A' ' 15' ' ' GLY . 44.2 t -81.99 -4.14 56.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.344 0.593 . . . . 0.0 109.811 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.92 -30.76 16.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.714 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.928 HG23 ' HG2' ' A' ' 14' ' ' ARG . 28.1 m -84.91 -29.36 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.333 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.928 ' HG2' HG23 ' A' ' 13' ' ' VAL . 3.5 ptt180 -168.5 52.86 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.925 0.393 . . . . 0.0 110.891 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.579 ' HA3' ' SG ' ' A' ' 11' ' ' CYS . . . -86.2 122.87 6.21 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.733 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.74 -82.41 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.113 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -131.78 160.47 35.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.657 0.265 . . . . 0.0 110.401 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.3 m -122.25 135.5 54.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.212 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.501 ' O ' ' HG2' ' A' ' 38' ' ' ARG . . . -99.75 154.4 18.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.551 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.2 t -83.12 -27.71 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.657 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.64 -80.18 0.59 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.87 0.367 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.7 m -131.11 163.55 27.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.825 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -48.45 162.63 0.09 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.143 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.439 ' HB2' ' HG3' ' A' ' 27' ' ' GLU . 4.3 mm? -88.37 149.85 45.53 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.441 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -71.21 24.48 0.22 Allowed 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.875 2.384 . . . . 0.0 112.911 -179.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.428 ' H ' ' C ' ' A' ' 24' ' ' LEU . 4.0 mmtm -146.51 20.99 1.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.738 0.304 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.439 ' HG3' ' HB2' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -157.21 164.75 37.41 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.009 0.433 . . . . 0.0 111.687 -179.83 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.499 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 3.1 pt-20 -110.03 161.6 15.36 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.742 178.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.501 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 1.0 OUTLIER -88.04 142.17 28.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.045 0.45 . . . . 0.0 111.543 -179.214 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -118.47 -22.94 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.019 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 179.79 -151.22 9.83 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.522 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -122.19 115.32 22.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.761 0.315 . . . . 0.0 110.701 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.7 t -75.22 -7.85 55.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.053 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -160.98 178.2 9.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.97 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.4 p -115.98 -1.3 12.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.321 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' ' 36' ' ' ARG . 33.5 mtt-85 -81.3 -3.27 52.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.965 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 115.04 46.39 0.59 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.48 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.519 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 4.7 mtt85 -124.78 176.97 6.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.681 0.277 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.519 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -150.46 161.23 42.92 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.802 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.501 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 4.0 t -108.0 131.5 54.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.052 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.499 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -123.55 143.91 49.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.015 0.436 . . . . 0.0 111.598 -179.857 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -128.23 124.54 36.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.024 179.384 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.417 ' N ' ' HB3' ' A' ' 27' ' ' GLU . 0.7 OUTLIER -39.2 131.19 1.55 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.821 -179.036 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.21 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.133 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.424 ' HB2' ' CE1' ' A' ' 9' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.102 0.477 . . . . 0.0 110.72 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -65.03 -1.31 2.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.781 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -83.71 -19.1 35.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.519 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.424 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 3.6 p90 -156.49 36.17 0.32 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.272 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.8 -38.64 67.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.822 0.344 . . . . 0.0 110.768 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 33.1 t -83.58 12.99 4.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.347 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -112.01 -31.63 6.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.007 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.533 HG23 ' HG3' ' A' ' 14' ' ' ARG . 18.7 m -83.4 -37.79 13.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.573 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.533 ' HG3' HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -152.08 26.73 0.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.001 -179.78 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.96 116.48 8.59 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.634 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.2 -79.09 0.21 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -131.96 172.24 12.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.794 0.33 . . . . 0.0 110.98 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.495 ' SG ' ' HD2' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -133.65 142.4 48.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.5 179.786 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -103.5 168.89 8.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.998 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.1 t -82.79 -43.31 18.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.308 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.9 tp -120.75 -70.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.799 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.36 150.59 38.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.766 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.6 174.74 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.98 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.54 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 79.3 mt -92.61 154.12 42.42 Favored Pre-proline 0 C--N 1.332 -0.193 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.023 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.52 -19.0 33.06 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.553 2.169 . . . . 0.0 112.999 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.24 11.02 33.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.56 -179.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.54 ' CG ' ' HB2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -151.13 145.42 25.44 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.904 0.383 . . . . 0.0 111.631 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.556 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 10.3 pt-20 -93.92 163.8 13.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.469 179.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.597 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 1.1 tm0? -90.76 136.76 32.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.902 0.382 . . . . 0.0 111.236 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -121.61 -19.21 4.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.333 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -164.95 -167.69 25.92 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.962 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -110.45 116.86 32.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.874 0.368 . . . . 0.0 110.858 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.463 ' HB3' ' HB3' ' A' ' 38' ' ' ARG . 3.4 t -70.39 -30.58 67.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.006 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.625 ' HB3' ' HE ' ' A' ' 38' ' ' ARG . 0.8 OUTLIER -167.08 154.24 8.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.8 p -86.32 11.59 11.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.263 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.0 mtm105 -98.09 -15.62 19.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.982 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 134.37 42.32 0.14 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.626 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.625 ' HE ' ' HB3' ' A' ' 34' ' ' SER . 67.6 mtm-85 -128.83 167.17 17.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.733 0.302 . . . . 0.0 110.668 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.496 ' HB3' ' HG3' ' A' ' 29' ' ' GLN . 2.8 mptp? -150.41 166.95 28.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.477 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.597 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 2.2 t -105.73 123.44 47.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.556 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.8 OUTLIER -111.76 144.45 41.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.04 0.448 . . . . 0.0 111.534 -179.623 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.405 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 4.6 tmm_? -125.46 115.12 19.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.005 179.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.42 ' N ' ' HB3' ' A' ' 27' ' ' GLU . 2.7 ttt180 -54.02 130.56 38.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.98 -179.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.205 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.444 ' HB2' ' CE2' ' A' ' 9' ' ' TYR . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.092 0.472 . . . . 0.0 110.991 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.77 -4.81 9.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.555 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.1 mmtp -83.76 -17.73 40.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.144 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.444 ' CE2' ' HB2' ' A' ' 6' ' ' LEU . 4.8 p90 -155.65 30.26 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.414 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.44 -13.99 61.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.94 0.4 . . . . 0.0 110.419 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.613 ' SG ' ' HA3' ' A' ' 15' ' ' GLY . 44.9 t -105.75 -10.1 16.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.698 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -91.62 -6.46 52.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.0 m -103.06 -30.4 2.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.425 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -168.15 25.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.467 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.613 ' HA3' ' SG ' ' A' ' 11' ' ' CYS . . . -58.54 151.14 33.17 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.877 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.97 -100.45 1.0 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.612 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -109.71 179.63 4.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.738 0.304 . . . . 0.0 110.824 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.4 m -128.11 139.22 52.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.184 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.25 161.06 13.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.375 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 23.8 t -81.62 -41.06 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.9 0.381 . . . . 0.0 111.287 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.71 -60.9 0.86 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.374 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.6 t -117.61 144.65 44.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.398 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.66 173.49 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.151 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.516 ' HB2' ' HG3' ' A' ' 27' ' ' GLU . 4.6 mm? -91.02 146.66 34.1 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.784 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 24' ' ' LEU . 24.7 Cg_exo -63.67 -20.28 68.79 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.784 2.323 . . . . 0.0 113.118 -179.138 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.04 2.85 56.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.624 -179.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.516 ' HG3' ' HB2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -145.09 139.35 27.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.993 0.425 . . . . 0.0 111.476 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.521 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -86.89 165.67 15.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.347 179.621 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.558 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 0.6 OUTLIER -90.69 136.56 32.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.966 0.413 . . . . 0.0 110.885 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.404 HG13 ' HB3' ' A' ' 40' ' ' CYS . 1.1 pt -115.36 -22.94 4.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.99 -179.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 178.87 -149.12 8.66 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.611 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -109.58 99.29 8.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.766 0.317 . . . . 0.0 110.248 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -51.48 -83.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.16 -179.484 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.7 t -83.46 -163.28 0.73 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.838 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.6 t -60.33 170.82 1.2 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.187 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -48.73 109.52 0.26 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.125 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 147.48 -25.59 1.52 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.917 -0.658 . . . . 0.0 112.362 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.513 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 34.0 mtt180 -115.83 -175.21 2.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.663 0.268 . . . . 0.0 110.707 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.513 ' HG3' ' C ' ' A' ' 38' ' ' ARG . 0.1 OUTLIER -148.14 164.58 33.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.734 -179.809 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.558 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 9.1 t -107.46 131.81 53.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.435 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.521 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 2.9 m -113.87 144.66 42.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.316 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -121.8 110.54 16.03 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.031 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.438 ' N ' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -59.43 132.27 53.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.181 -179.311 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.818 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.406 ' O ' HD12 ' A' ' 6' ' ' LEU . 1.0 OUTLIER . . . . . 0 CA--C 1.526 0.047 0 CA-C-O 121.064 0.459 . . . . 0.0 110.805 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.544 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 5.0 mt-30 -66.38 -4.27 7.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.28 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.87 -12.4 57.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.895 0.379 . . . . 0.0 110.74 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -155.62 17.74 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.537 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.544 ' HB2' ' HA ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -60.47 -33.17 72.19 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.401 179.724 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.599 ' HB2' HG13 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -90.57 -11.46 40.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.891 179.407 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.436 ' HB2' HH11 ' A' ' 12' ' ' ARG . 0.0 OUTLIER -83.84 -23.15 31.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.505 179.516 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.632 HG23 ' HG3' ' A' ' 14' ' ' ARG . 5.8 m -90.77 -44.02 14.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.105 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.632 ' HG3' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -152.79 61.78 0.79 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.794 179.856 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -113.25 -116.6 3.35 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.581 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 179.25 -98.88 0.12 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.674 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -114.42 176.17 5.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.756 0.313 . . . . 0.0 110.796 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.8 m -129.19 136.27 49.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.16 157.51 16.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.816 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.454 ' HB ' HD12 ' A' ' 21' ' ' LEU . 3.9 t -83.0 -28.04 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.459 -179.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.454 HD12 ' HB ' ' A' ' 20' ' ' VAL . 5.6 mp -129.88 -80.67 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.056 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.1 t -110.62 155.36 22.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.987 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.22 172.65 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.147 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.494 ' HB2' ' HG3' ' A' ' 27' ' ' GLU . 3.6 mm? -91.59 150.37 40.95 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.401 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.405 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 69.7 Cg_endo -74.42 27.53 0.34 Allowed 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.536 2.157 . . . . 0.0 112.97 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 25' ' ' PRO . 25.0 mttt -146.86 11.05 1.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.055 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.494 ' HG3' ' HB2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -148.69 164.14 35.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.08 0.467 . . . . 0.0 111.822 -179.523 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.606 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 8.2 pt-20 -108.23 161.68 14.78 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.619 -0.718 . . . . 0.0 109.911 179.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.519 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -90.28 139.51 30.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.082 0.468 . . . . 0.0 111.422 -179.57 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.599 HG13 ' HB2' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -116.88 -28.16 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.441 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 172.17 171.3 36.98 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.427 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.87 126.69 30.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.745 0.307 . . . . 0.0 110.945 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.4 t -89.22 11.51 18.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -159.54 -166.57 1.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 t -117.61 -18.62 9.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.194 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -72.78 -79.97 0.07 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.95 57.36 0.22 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.548 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.571 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 27.3 mtt180 -120.06 -176.84 3.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 110.933 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.571 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -149.67 160.1 43.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.846 -179.711 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.519 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 0.5 OUTLIER -113.25 130.84 56.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.631 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.606 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -121.27 136.57 54.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.128 0.489 . . . . 0.0 111.914 -179.695 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.424 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -112.86 117.14 31.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.266 179.74 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.425 ' N ' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -47.74 136.71 10.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.207 -179.618 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.164 -179.784 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.433 ' O ' HD12 ' A' ' 6' ' ' LEU . 1.1 pp . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.916 0.388 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.473 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -66.26 -2.84 4.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 179.758 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.7 mmtm -82.31 -15.45 52.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.828 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.431 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -154.91 25.37 0.44 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.626 179.584 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.473 ' HB2' ' HA ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -60.37 -29.83 69.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.635 179.755 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.486 ' HA ' ' HA3' ' A' ' 15' ' ' GLY . 0.5 OUTLIER -85.0 -20.52 30.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.68 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -79.14 -45.35 20.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.709 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 9' ' ' TYR . 4.5 m -64.71 -36.0 76.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.001 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.566 ' HG3' ' H ' ' A' ' 15' ' ' GLY . 0.3 OUTLIER -165.22 -72.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 179.809 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.566 ' H ' ' HG3' ' A' ' 14' ' ' ARG . . . 56.52 -130.88 50.69 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.743 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -167.8 -88.63 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.182 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -127.55 151.62 48.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.706 0.289 . . . . 0.0 110.266 179.444 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.1 m -114.27 137.83 51.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.801 0.334 . . . . 0.0 111.435 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.5 156.73 16.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.578 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.0 t -82.54 -32.11 10.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.587 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.454 HD22 ' HA ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -131.93 -69.56 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.818 0.342 . . . . 0.0 110.837 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.0 t -117.92 152.61 35.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.796 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.7 171.37 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.039 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.506 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.8 mm? -92.24 145.3 30.46 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.045 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.98 27.37 0.25 Allowed 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.515 2.143 . . . . 0.0 113.063 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.416 ' H ' ' C ' ' A' ' 24' ' ' LEU . 13.5 mttt -146.83 15.0 1.2 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.936 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.588 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 0.0 OUTLIER -147.78 153.77 39.64 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.095 0.474 . . . . 0.0 111.527 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.5 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 4.4 tp10 -99.72 151.57 21.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.762 179.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.455 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 0.6 OUTLIER -88.7 143.05 27.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.067 0.46 . . . . 0.0 111.26 -179.359 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -121.95 -21.92 3.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.097 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -174.86 -179.08 45.21 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.459 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.43 133.72 35.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.706 0.288 . . . . 0.0 110.274 179.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 8.4 t -84.56 -42.29 15.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.213 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.754 ' HB3' ' HE ' ' A' ' 38' ' ' ARG . 39.9 p -106.7 -77.6 0.59 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.994 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -169.43 -33.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.154 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.454 HH11 ' HD3' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -166.9 -10.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.16 -179.8 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.56 -15.47 22.79 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.835 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.754 ' HE ' ' HB3' ' A' ' 34' ' ' SER . 61.7 mtm180 -132.49 168.68 17.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.793 0.33 . . . . 0.0 111.075 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.543 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -151.02 173.0 14.83 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.561 -179.859 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 17.1 t -114.96 112.1 22.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.697 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.588 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 0.5 OUTLIER -117.65 133.15 56.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.104 0.478 . . . . 0.0 111.845 -179.571 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.507 ' HB2' HH11 ' A' ' 42' ' ' ARG . 0.0 OUTLIER -114.98 130.91 57.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.996 179.071 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -41.63 117.79 0.98 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.308 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.062 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.456 ' HB2' ' CE1' ' A' ' 9' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.005 0.431 . . . . 0.0 110.787 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.432 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 18.1 mt-30 -64.59 -3.79 3.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.007 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -81.91 -16.29 51.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.829 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.456 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -154.56 28.06 0.44 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.674 179.629 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.432 ' HB2' ' HA ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -65.53 -26.32 67.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.348 179.544 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.413 ' SG ' ' HA3' ' A' ' 15' ' ' GLY . 45.8 t -87.19 0.54 55.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.426 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -97.3 -33.07 11.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.707 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.416 HG23 ' HG2' ' A' ' 14' ' ' ARG . 16.5 m -83.66 -35.01 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.314 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.416 ' HG2' HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -156.64 46.79 0.44 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.077 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.413 ' HA3' ' SG ' ' A' ' 11' ' ' CYS . . . -83.52 112.95 3.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.576 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.85 -76.78 0.24 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.446 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 -135.22 176.92 8.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.791 0.329 . . . . 0.0 110.867 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 88.2 m -131.93 138.69 48.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.712 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.85 144.06 28.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.9 t -82.52 -19.55 10.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.371 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.5 mp -125.37 -66.68 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.805 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 91.5 p -147.92 155.33 41.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -48.75 152.09 1.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.212 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.557 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 11.8 mt -92.14 137.03 25.18 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.484 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 24' ' ' LEU . 62.6 Cg_exo -53.43 -17.54 9.4 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.742 2.294 . . . . 0.0 112.995 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -95.1 19.69 10.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.389 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.557 ' CG ' ' HB2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -154.99 160.02 40.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.152 0.501 . . . . 0.0 111.877 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.526 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 11.6 tp10 -109.25 149.87 28.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.806 179.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.501 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 1.1 tm0? -86.65 139.88 30.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.085 0.469 . . . . 0.0 111.074 -179.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.401 ' CD1' ' HA2' ' A' ' 15' ' ' GLY . 0.6 OUTLIER -119.3 -23.69 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.105 -179.506 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -172.28 -164.38 27.7 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.405 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 mtmm -111.71 111.21 22.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.862 0.363 . . . . 0.0 110.999 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.9 t -65.94 -18.56 65.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.764 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.7 t -153.11 155.11 36.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.954 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.6 t -92.55 17.44 10.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.236 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -107.31 -74.42 0.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.019 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -159.13 49.97 0.4 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.478 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.48 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 22.7 mtt180 -137.79 169.88 17.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.763 0.316 . . . . 0.0 110.723 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -150.21 171.19 17.33 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.736 -179.819 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.501 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 8.7 t -111.94 117.87 33.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.927 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.526 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -119.32 144.4 46.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.014 0.435 . . . . 0.0 111.409 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.67 127.6 45.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.447 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.89 142.1 0.52 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.106 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.682 ' H ' ' HE2' ' A' ' 44' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.249 0 CA-C-O 121.274 0.559 . . . . 0.0 110.996 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.452 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 121.063 0.459 . . . . 0.0 111.068 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.545 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -130.9 -14.83 3.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.217 179.637 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.58 -4.65 57.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.188 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.427 ' CE2' ' HB2' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -153.49 16.61 0.53 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.601 -179.723 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.545 ' HB2' ' HA ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -59.05 -33.03 70.31 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.355 179.693 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.527 ' SG ' ' HA3' ' A' ' 15' ' ' GLY . 0.1 OUTLIER -87.66 -11.15 49.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.148 179.417 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -87.05 -24.87 24.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.917 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.9 m -88.11 -35.72 8.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.756 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -175.09 46.69 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.823 0.344 . . . . 0.0 111.087 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.527 ' HA3' ' SG ' ' A' ' 11' ' ' CYS . . . -72.19 -128.66 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.684 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -173.71 -99.44 0.12 Allowed Glycine 0 N--CA 1.453 -0.19 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.594 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.412 ' HD2' HD23 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -113.35 179.76 3.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.719 0.295 . . . . 0.0 110.718 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -134.24 146.18 49.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.05 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.6 154.35 21.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 38.6 t -82.68 -38.18 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.826 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.23 -63.94 0.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.85 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.61 145.25 45.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.797 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.29 172.19 0.34 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.452 ' HB2' ' HG3' ' A' ' 27' ' ' GLU . 4.5 mm? -93.27 138.93 22.9 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.529 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.89 -17.2 35.7 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.525 2.15 . . . . 0.0 112.684 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -94.16 11.64 29.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.172 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.452 ' HG3' ' HB2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -156.4 155.59 32.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.006 0.432 . . . . 0.0 111.477 -179.805 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.627 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 0.2 OUTLIER -103.42 163.43 12.28 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.106 179.243 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.619 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -88.24 134.8 33.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.999 0.428 . . . . 0.0 111.329 -179.645 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.427 HG23 ' OE2' ' A' ' 28' ' ' GLU . 0.4 OUTLIER -124.55 -19.87 3.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.457 -179.749 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -158.54 -173.44 26.95 Favored Glycine 0 N--CA 1.453 -0.178 0 C-N-CA 120.238 -0.982 . . . . 0.0 113.214 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -114.09 113.02 24.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.869 0.366 . . . . 0.0 110.491 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.2 t -62.7 -17.33 60.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.36 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.414 ' HB3' ' H ' ' A' ' 35' ' ' THR . 5.6 t -139.53 -98.18 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.99 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.414 ' H ' ' HB3' ' A' ' 34' ' ' SER . 0.1 OUTLIER -136.16 -43.07 0.64 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.845 0.355 . . . . 0.0 110.996 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.405 ' H ' ' H ' ' A' ' 37' ' ' GLY . 1.2 ptp180 -161.93 -12.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.831 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.405 ' H ' ' H ' ' A' ' 36' ' ' ARG . . . -81.36 -60.47 2.23 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.416 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.57 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 36.4 mtm180 -94.32 173.24 7.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.715 0.293 . . . . 0.0 110.796 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.57 ' HG3' ' C ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -150.51 173.25 14.29 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.718 -179.885 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.619 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -112.62 130.97 55.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.638 179.738 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.627 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 1.3 m -122.93 133.51 54.39 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -179.277 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.412 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 4.0 ppt_? -111.09 122.7 48.56 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.191 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.1 ttp85 -53.57 141.22 26.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.28 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.793 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.48 ' O ' HD12 ' A' ' 6' ' ' LEU . 1.2 pp . . . . . 0 CA--C 1.527 0.081 0 CA-C-O 120.799 0.333 . . . . 0.0 111.08 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.587 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -66.08 -2.05 3.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.866 179.562 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.36 -13.28 57.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.092 0.472 . . . . 0.0 110.392 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.496 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -154.33 13.28 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.527 179.401 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.587 ' HB2' ' HA ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -60.49 -45.78 92.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.04 179.367 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -80.15 -5.11 55.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.775 178.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.496 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 5.7 ttm180 -82.98 -44.3 15.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.713 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.816 HG23 ' HG2' ' A' ' 14' ' ' ARG . 34.7 m -64.28 -30.29 49.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.91 0.386 . . . . 0.0 110.806 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.816 ' HG2' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -144.35 -71.33 0.28 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.51 179.377 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 51.23 90.2 0.01 OUTLIER Glycine 0 C--N 1.332 0.319 0 C-N-CA 121.208 -0.52 . . . . 0.0 112.806 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.09 -85.79 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.612 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -126.76 179.24 5.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.668 0.271 . . . . 0.0 110.503 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 87.0 m -134.0 139.56 46.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 111.237 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.99 172.4 6.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.773 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.478 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 15.2 t -83.41 -47.6 18.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.235 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.4 tp -135.13 -49.72 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.117 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.0 p -117.99 140.72 49.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.78 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.96 176.39 0.21 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.242 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.457 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 4.3 mm? -92.05 149.15 38.25 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.868 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.61 27.07 0.39 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.747 2.298 . . . . 0.0 112.645 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -142.32 2.15 1.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.445 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.457 ' CG ' ' HB2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -143.07 144.86 32.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.18 -179.816 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.615 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 7.2 pt-20 -92.64 161.77 14.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.25 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.595 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 16.9 tt0 -91.18 141.82 28.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.994 0.426 . . . . 0.0 111.672 -179.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.452 HG13 ' HB2' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -121.44 -22.08 3.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.171 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -175.18 -161.01 24.05 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.788 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -111.15 118.55 36.28 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.855 0.359 . . . . 0.0 110.364 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.9 t -70.56 -48.22 56.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.348 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.08 152.13 46.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.983 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.7 t -74.62 -15.74 60.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.174 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.9 mtt180 -64.99 -65.71 0.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.34 45.91 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.496 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.558 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 20.4 mtm-85 -116.77 179.06 4.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.737 0.303 . . . . 0.0 110.744 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.558 ' HG3' ' C ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -149.81 166.91 28.05 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.953 -179.704 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.595 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 0.2 OUTLIER -108.28 119.88 40.76 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.245 179.88 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.615 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -116.67 129.66 56.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.525 -179.869 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.442 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -115.7 130.28 56.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.415 179.482 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -50.02 133.72 22.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.392 -179.379 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.41 ' HG3' ' HA ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.475 ' HB2' ' CE2' ' A' ' 9' ' ' TYR . 1.0 OUTLIER . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 121.102 0.477 . . . . 0.0 110.999 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -64.55 -4.74 4.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.076 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -84.17 -13.41 52.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.235 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.475 ' CE2' ' HB2' ' A' ' 6' ' ' LEU . 4.8 p90 -155.14 29.86 0.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.939 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.29 -35.0 71.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.503 179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.721 ' HA ' ' HA3' ' A' ' 15' ' ' GLY . 5.8 t -81.63 7.24 12.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.433 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.488 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -107.57 -24.25 11.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.708 -179.719 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.552 HG23 ' HG2' ' A' ' 14' ' ' ARG . 27.9 m -91.29 -33.94 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.764 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.552 ' HG2' HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -169.43 33.66 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.819 0.343 . . . . 0.0 110.899 -179.764 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.721 ' HA3' ' HA ' ' A' ' 11' ' ' CYS . . . -72.63 139.79 28.15 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.774 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.83 -100.64 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.534 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.443 HH11 ' HD3' ' A' ' 17' ' ' ARG . 4.7 ptp180 -105.46 172.06 6.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.814 0.34 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.9 m -133.52 136.61 45.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.077 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -103.46 167.07 10.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.7 t -84.13 -42.76 17.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.342 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.1 -80.34 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.744 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 40.6 t -104.53 150.8 24.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.74 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.21 175.72 0.69 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.557 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 3.6 mm? -93.73 148.26 35.05 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.423 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -68.52 -15.43 41.57 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.445 2.096 . . . . 0.0 113.009 -179.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.468 ' O ' ' HD3' ' A' ' 44' ' ' LYS . 0.6 OUTLIER -94.61 1.25 55.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.66 0.267 . . . . 0.0 111.313 -179.711 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.596 ' HB3' ' N ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -142.42 146.86 35.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.057 0.456 . . . . 0.0 111.667 -179.79 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.542 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 2.1 pt-20 -92.07 162.11 14.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.157 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.635 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 1.9 tt0 -91.46 136.06 33.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.923 0.392 . . . . 0.0 111.013 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -119.81 -15.2 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.317 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -179.74 -156.06 16.82 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.726 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 39' ' ' LYS . 16.7 mttp -125.35 104.38 8.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.857 0.36 . . . . 0.0 110.634 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.3 t -52.84 -63.29 1.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.359 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.0 t -102.38 163.0 12.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.8 p -97.66 -0.41 45.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.4 mmm-85 -77.61 -41.85 37.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.963 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 156.59 49.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.326 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.566 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 11.2 mtt180 -124.67 -174.49 3.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.88 0.371 . . . . 0.0 111.03 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.566 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -149.35 164.96 33.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.921 -179.781 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.635 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 6.5 t -109.28 131.42 55.08 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.058 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 1.5 m -118.76 145.14 45.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.454 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.439 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -128.29 108.5 10.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.377 179.76 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.596 ' N ' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -52.97 137.43 32.74 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.236 -179.403 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.533 ' HE3' ' HB3' ' A' ' 28' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.203 0 CA-C-O 121.183 0.516 . . . . 0.0 110.93 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.454 ' HB2' ' CE1' ' A' ' 9' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.002 0.429 . . . . 0.0 111.01 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -66.08 -0.54 2.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.69 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -82.2 -25.0 34.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.328 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.454 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 1.4 p90 -150.65 34.67 0.62 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.349 -0.842 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.76 -19.88 61.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.364 179.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.728 ' HA ' ' HA3' ' A' ' 15' ' ' GLY . 0.1 OUTLIER -91.95 0.54 57.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.569 179.686 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.08 -13.22 15.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.67 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.5 m -100.8 -37.54 5.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.31 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -164.35 30.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.728 ' HA3' ' HA ' ' A' ' 11' ' ' CYS . . . -72.24 132.3 18.58 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.53 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.39 -91.66 0.23 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.58 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -122.13 -174.95 3.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.734 0.302 . . . . 0.0 110.722 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 74.9 m -132.43 142.58 49.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.34 154.27 18.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.2 t -83.07 -36.55 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.419 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.495 HD12 ' H ' ' A' ' 22' ' ' SER . 0.1 OUTLIER -130.98 -62.67 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.62 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.495 ' H ' HD12 ' A' ' 21' ' ' LEU . 63.3 p -122.84 147.85 46.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.476 179.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -55.32 171.45 0.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.232 -179.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.436 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 4.3 mm? -90.0 146.46 35.15 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.692 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 24' ' ' LEU . 11.8 Cg_exo -71.34 25.28 0.23 Allowed 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.947 2.431 . . . . 0.0 112.995 -179.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.42 ' H ' ' C ' ' A' ' 24' ' ' LEU . 11.9 mmtt -144.82 9.15 1.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.755 0.312 . . . . 0.0 110.944 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.428 ' CG ' ' HB2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -147.72 142.4 26.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.219 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.555 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 17.1 tp10 -89.69 158.37 17.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.253 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.618 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 1.6 tm0? -88.71 137.96 31.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.926 0.393 . . . . 0.0 111.018 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.412 ' CD1' ' HA2' ' A' ' 15' ' ' GLY . 0.2 OUTLIER -117.42 -25.54 2.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.124 -179.629 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -175.65 -171.8 39.89 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.589 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -99.97 111.77 24.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.339 . . . . 0.0 110.745 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.7 t -57.93 -39.15 77.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.126 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -111.59 -163.84 0.88 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.917 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 p -71.29 -47.29 57.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.122 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -166.48 138.17 3.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.98 -44.76 1.42 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.662 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.0 mtm-85 -97.56 -178.65 4.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.844 0.354 . . . . 0.0 111.122 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.401 ' HB2' ' HG3' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -154.48 173.06 16.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.22 -179.724 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.618 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 1.5 m -116.11 125.13 51.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.662 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.522 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 1.5 m -118.5 134.86 54.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.965 0.412 . . . . 0.0 111.579 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.71 129.84 52.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.246 179.38 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.03 133.33 3.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.53 -179.304 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.987 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.456 ' HB2' ' CE2' ' A' ' 9' ' ' TYR . 0.9 OUTLIER . . . . . 0 CA--C 1.526 0.056 0 CA-C-O 120.958 0.408 . . . . 0.0 111.09 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.587 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -138.81 -16.81 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.321 179.678 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.3 mmtt -81.78 -3.37 53.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.743 179.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.456 ' CE2' ' HB2' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -152.73 21.42 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.24 179.556 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.587 ' HB2' ' HA ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -63.2 -35.47 80.43 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.129 179.484 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.401 ' HA ' ' CA ' ' A' ' 15' ' ' GLY . 1.3 t -85.24 0.95 50.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.247 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -94.88 -38.42 10.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.81 HG23 ' HG2' ' A' ' 14' ' ' ARG . 10.4 m -73.36 -25.5 21.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.053 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.81 ' HG2' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -160.98 -63.84 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.449 179.732 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.679 ' HA2' HD12 ' A' ' 30' ' ' ILE . . . 53.67 -145.53 23.81 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 121.007 -0.616 . . . . 0.0 113.079 179.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -173.69 -93.0 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 121.091 -0.576 . . . . 0.0 112.256 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -123.47 173.11 8.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.755 0.312 . . . . 0.0 110.689 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.8 m -130.43 135.63 48.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.982 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -103.39 167.07 10.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.106 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 36.8 t -83.2 -46.89 18.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.065 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.426 ' O ' ' HD2' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -120.77 -78.23 0.59 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.562 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.3 t -104.11 153.83 20.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.509 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.21 174.82 0.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.467 ' HB2' ' HG3' ' A' ' 27' ' ' GLU . 3.2 mm? -90.32 136.97 27.89 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.729 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 24' ' ' LEU . 52.4 Cg_exo -55.68 -21.48 32.03 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.784 2.323 . . . . 0.0 113.15 -179.295 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.1 mtmm -93.28 13.95 19.78 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.757 0.313 . . . . 0.0 111.298 -179.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.584 ' HB3' ' HA ' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -156.2 166.66 32.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.147 0.499 . . . . 0.0 111.698 -179.858 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.539 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 1.5 pt-20 -113.52 165.38 12.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.802 179.208 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.593 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 6.5 tt0 -88.45 137.04 32.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.082 0.467 . . . . 0.0 111.157 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.679 HD12 ' HA2' ' A' ' 15' ' ' GLY . 0.2 OUTLIER -119.82 -21.87 4.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.026 -179.486 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -167.15 -148.98 5.82 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.572 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.584 ' HA ' ' HA ' ' A' ' 39' ' ' LYS . 1.6 ptmm? -136.26 105.35 5.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.823 0.344 . . . . 0.0 110.836 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.6 t -61.51 -33.2 73.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.941 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.404 ' OG ' ' HD2' ' A' ' 38' ' ' ARG . 0.8 OUTLIER -144.21 143.87 31.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.7 p -91.5 11.46 23.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.081 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -92.14 -13.19 31.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.776 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.73 44.29 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.427 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.591 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 21.1 mtt180 -138.82 175.65 9.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.666 0.27 . . . . 0.0 110.874 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.591 ' HG3' ' C ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -150.94 169.91 20.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.799 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.593 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 1.3 m -106.96 134.97 49.31 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.089 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.539 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 8.5 m -113.69 155.64 25.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.116 0.484 . . . . 0.0 111.677 -179.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.479 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 11.0 tpp180 -132.25 104.67 6.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.841 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.584 ' HA ' ' HB3' ' A' ' 27' ' ' GLU . 8.3 ttp180 -56.73 142.71 39.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.673 -178.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.489 ' HE2' ' HG2' ' A' ' 28' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.908 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.474 ' HB2' ' CE1' ' A' ' 9' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 121.107 0.48 . . . . 0.0 110.631 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -64.33 -4.42 3.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.066 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.28 -14.99 54.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.86 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.474 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 2.2 p90 -157.19 29.65 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.06 179.566 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.417 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -67.95 -40.64 83.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.588 179.762 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.5 t -80.26 2.04 26.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.997 179.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 12' ' ' ARG . 5.6 ttt-85 -96.14 -45.43 6.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.648 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.601 HG23 ' CG ' ' A' ' 14' ' ' ARG . 19.7 m -57.47 -29.15 32.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 121.041 0.448 . . . . 0.0 110.647 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.601 ' CG ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -149.24 -67.68 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.172 179.157 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.06 101.88 0.01 OUTLIER Glycine 0 C--N 1.331 0.3 0 C-N-CA 121.161 -0.542 . . . . 0.0 113.0 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.3 -83.35 0.15 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.581 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.447 HH11 ' HD2' ' A' ' 17' ' ' ARG . 1.3 ptm85 -136.29 166.63 22.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.792 0.33 . . . . 0.0 110.85 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 68.8 m -114.21 134.85 54.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.659 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.8 159.61 14.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.945 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.443 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 22.7 t -83.56 -48.98 16.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.405 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 tp -118.78 -54.47 2.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.962 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.38 150.03 52.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.808 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -57.41 172.57 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.272 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.58 HD13 ' HD2' ' A' ' 25' ' ' PRO . 2.7 mm? -93.37 140.73 23.3 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.643 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.58 ' HD2' HD13 ' A' ' 24' ' ' LEU . 21.0 Cg_endo -60.84 -17.73 52.31 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.688 2.258 . . . . 0.0 112.74 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.451 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 8.4 mttt -95.8 13.95 24.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.52 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.487 ' HG3' ' HB2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -154.02 146.34 23.89 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.828 0.347 . . . . 0.0 111.39 179.885 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.542 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 4.1 pt-20 -95.71 159.67 14.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.871 179.173 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.506 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 13.4 tt0 -88.97 141.18 28.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.035 0.445 . . . . 0.0 111.375 -179.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.32 -21.24 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.117 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -169.64 -155.67 10.22 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.541 -0.838 . . . . 0.0 112.997 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.6 mttp -114.6 102.6 10.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.882 0.373 . . . . 0.0 110.338 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -63.91 -8.67 11.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.347 -179.616 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.2 t -138.86 -96.22 0.17 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.167 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.404 HG23 ' H ' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -137.88 -63.42 0.57 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.02 -179.864 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.404 ' H ' HG23 ' A' ' 35' ' ' THR . 20.6 ttp-105 -150.03 -20.76 0.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.946 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.51 -37.51 17.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.46 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.562 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 3.5 mtt180 -109.09 173.92 6.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.639 0.256 . . . . 0.0 110.669 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.562 ' HG3' ' C ' ' A' ' 38' ' ' ARG . 1.4 mptt -150.44 169.39 21.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.899 0.38 . . . . 0.0 110.932 -179.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.506 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 11.5 t -106.52 123.05 47.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.638 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -120.6 136.82 54.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.905 0.383 . . . . 0.0 111.741 -179.26 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.469 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -112.42 122.79 48.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.312 179.353 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.427 ' N ' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -50.2 146.48 5.0 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.48 -179.273 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.11 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.482 ' HB2' ' CE1' ' A' ' 9' ' ' TYR . 1.2 pp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.988 0.423 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -65.04 -2.55 2.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.023 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.406 ' HB2' ' CD2' ' A' ' 9' ' ' TYR . 4.6 mmmm -83.73 -14.7 51.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.482 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 0.4 OUTLIER -154.89 25.31 0.44 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.209 179.764 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.52 -24.94 66.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.993 0.425 . . . . 0.0 110.388 179.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.0 t -88.69 -1.2 57.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.582 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.8 mmm-85 -98.49 -24.28 15.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.761 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.69 HG23 ' HG3' ' A' ' 14' ' ' ARG . 16.0 m -86.45 -29.71 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.338 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.69 ' HG3' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -166.88 42.12 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.874 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.6 133.8 25.7 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.719 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.01 -101.05 0.92 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.569 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.0 ptm85 -106.77 -174.84 2.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.737 0.303 . . . . 0.0 110.952 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.7 m -137.22 133.79 35.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.065 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.68 164.34 11.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.533 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 9.5 t -83.4 -49.16 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.378 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.53 -40.36 0.8 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.626 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.88 138.56 51.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.727 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.67 171.06 1.23 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.979 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.453 ' HB2' ' HG2' ' A' ' 27' ' ' GLU . 55.6 mt -90.21 147.61 37.33 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.931 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.64 -14.7 46.04 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.576 2.184 . . . . 0.0 112.613 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -94.24 1.32 56.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.344 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.473 ' HG3' ' HB2' ' A' ' 41' ' ' CYS . 0.0 OUTLIER -147.22 143.53 28.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.031 0.443 . . . . 0.0 111.675 -179.577 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.614 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 0.0 OUTLIER -93.01 165.14 13.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.215 179.368 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.599 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 0.8 OUTLIER -90.05 137.07 32.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.003 0.43 . . . . 0.0 111.301 -179.643 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.559 HG23 ' OE2' ' A' ' 28' ' ' GLU . 0.3 OUTLIER -121.51 -21.32 3.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.125 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -168.08 -159.03 12.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.774 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -117.92 116.83 27.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.815 0.341 . . . . 0.0 110.793 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 46.5 t -71.23 -6.7 41.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.786 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.7 t -156.88 174.56 15.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.786 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -57.4 -38.93 75.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.087 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -171.6 145.34 2.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.922 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 107.57 -35.33 5.07 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.913 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.561 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 17.1 mtt180 -117.67 172.56 7.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.902 0.382 . . . . 0.0 111.239 -179.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.561 ' HG3' ' C ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -150.04 171.97 15.99 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.512 -179.868 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.599 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 26.0 m -109.36 123.83 49.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.864 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.614 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -115.8 131.89 56.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.709 -179.421 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -117.18 126.28 52.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.185 179.22 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.88 134.23 25.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.34 -179.24 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.546 ' O ' HD12 ' A' ' 6' ' ' LEU . 1.5 pp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.06 0.457 . . . . 0.0 110.775 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -65.4 0.55 1.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.808 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.418 ' H ' ' C ' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -82.18 -14.12 56.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 -179.872 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -154.75 22.48 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.304 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.43 -51.13 60.13 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.162 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.7 t -71.89 -15.48 62.11 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 178.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -87.47 -22.85 24.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.824 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.718 HG12 ' HG2' ' A' ' 14' ' ' ARG . 0.4 OUTLIER -81.84 -22.81 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.683 -179.873 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.718 ' HG2' HG12 ' A' ' 13' ' ' VAL . 1.0 OUTLIER -156.03 -60.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.496 179.474 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.78 88.51 0.01 OUTLIER Glycine 0 C--N 1.332 0.316 0 CA-C-N 116.035 -0.53 . . . . 0.0 113.091 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.26 -91.68 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.011 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.51 163.36 15.87 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 179.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.7 m -132.39 134.24 44.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.878 0.371 . . . . 0.0 111.303 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.487 ' O ' ' HG2' ' A' ' 38' ' ' ARG . . . -101.44 155.67 17.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.566 179.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.5 t -82.47 -22.71 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.36 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.27 -86.81 0.54 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.016 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.9 t -110.52 153.11 25.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.808 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -61.86 168.36 3.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.485 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 31.9 mt -91.07 146.58 33.9 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.972 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -66.84 -11.66 32.94 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.431 2.088 . . . . 0.0 112.308 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.79 0.3 54.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.048 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.485 ' CG ' ' HB2' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -146.7 150.08 34.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.102 0.477 . . . . 0.0 111.615 -179.795 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.566 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 2.7 pt-20 -96.97 164.34 12.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.168 179.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.532 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -89.07 139.39 30.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.058 0.456 . . . . 0.0 111.216 -179.531 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -118.67 -20.18 5.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.128 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 175.79 154.1 11.11 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.46 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -67.51 123.93 21.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.849 0.357 . . . . 0.0 110.78 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.403 ' H ' ' HA ' ' A' ' 39' ' ' LYS . 6.6 t -71.35 -30.51 66.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.943 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.5 m -154.62 174.64 14.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.9 p -96.64 -7.8 33.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.195 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.7 mtm180 -74.84 -44.11 50.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 155.33 47.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.502 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.565 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 5.1 mtt180 -125.93 171.38 10.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.663 0.268 . . . . 0.0 110.815 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.565 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 0.2 OUTLIER -150.82 163.38 38.77 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.904 0.383 . . . . 0.0 111.063 -179.708 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.532 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 57.0 m -108.25 127.2 53.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.79 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.566 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.5 OUTLIER -117.6 137.59 52.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.047 0.451 . . . . 0.0 111.826 -179.506 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.41 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 0.6 OUTLIER -117.46 118.59 32.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.032 179.347 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.432 ' N ' ' HB3' ' A' ' 27' ' ' GLU . 9.4 mtp180 -52.05 141.79 17.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.313 -179.29 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.2 mmtp . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.214 -179.779 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.497 ' HB2' ' CE1' ' A' ' 9' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.955 0.407 . . . . 0.0 110.933 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.571 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 6.5 mt-30 -65.58 -2.29 3.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.85 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.93 -14.44 57.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.006 0.431 . . . . 0.0 110.446 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.497 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -155.21 15.09 0.4 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.462 179.213 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.571 ' HB2' ' HA ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -63.92 -32.03 73.42 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.429 ' O ' ' HA3' ' A' ' 15' ' ' GLY . 0.0 OUTLIER -91.21 15.27 12.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.803 179.132 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.495 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -110.42 -28.1 8.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.489 -179.854 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.4 m -84.45 -28.03 6.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.438 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -156.4 12.77 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.935 0.398 . . . . 0.0 110.438 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.429 ' HA3' ' O ' ' A' ' 11' ' ' CYS . . . -73.04 146.25 37.71 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.671 -179.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.42 -75.47 1.1 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.959 -0.639 . . . . 0.0 112.643 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -133.69 -171.5 2.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.853 0.359 . . . . 0.0 111.041 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 m -132.73 143.78 49.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.969 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.63 167.06 10.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.021 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.438 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -83.93 -45.86 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.44 -179.688 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.444 ' HA ' ' O ' ' A' ' 37' ' ' GLY . 0.1 OUTLIER -127.13 -60.54 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.784 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.88 154.95 35.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.829 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.469 ' SG ' ' HG3' ' A' ' 29' ' ' GLN . 0.5 OUTLIER -52.83 166.12 0.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.927 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.577 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 3.0 mm? -91.05 148.55 38.21 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.579 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.457 ' C ' ' HG2' ' A' ' 26' ' ' LYS . 13.4 Cg_exo -70.57 22.47 0.2 Allowed 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.92 2.414 . . . . 0.0 113.003 -179.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.457 ' HG2' ' C ' ' A' ' 25' ' ' PRO . 3.7 mttm -144.01 19.8 1.78 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.644 0.259 . . . . 0.0 111.114 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.609 ' HA ' ' HG3' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -153.25 160.06 42.7 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.951 0.405 . . . . 0.0 111.807 -179.874 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.597 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 5.0 pt-20 -106.44 153.77 21.78 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.768 179.091 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.558 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -88.67 137.98 31.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.141 0.496 . . . . 0.0 111.558 -179.164 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.463 HD12 ' HG2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -123.86 -22.1 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.958 -179.844 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -162.46 -162.25 13.23 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.748 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -125.17 108.38 11.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.805 0.336 . . . . 0.0 110.716 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 t -60.36 -23.01 63.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.095 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 p -139.6 166.65 24.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.6 p -59.82 -40.25 87.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.08 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -167.28 103.26 0.53 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.444 ' O ' ' HA ' ' A' ' 21' ' ' LEU . . . 149.63 -34.12 1.06 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.43 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.535 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 10.3 mtm180 -123.49 172.7 8.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.718 0.294 . . . . 0.0 110.777 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.535 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 3.1 mptp? -150.91 173.07 14.7 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.766 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.558 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 57.2 m -110.46 112.22 24.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.097 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.597 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -120.59 131.55 54.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.961 0.41 . . . . 0.0 111.4 179.73 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.467 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -111.74 129.83 55.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.482 179.509 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.84 136.27 22.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.376 -179.386 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.609 ' HG3' ' HA ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.901 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.496 ' HB2' ' CE1' ' A' ' 9' ' ' TYR . 1.1 pp . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.985 0.421 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.437 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 4.4 mt-30 -65.61 -1.0 2.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.657 179.362 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.06 -15.32 56.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.643 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.499 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -155.2 17.38 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.977 179.748 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.437 ' HB2' ' HA ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -66.08 -28.7 69.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.114 0.483 . . . . 0.0 109.745 179.254 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.542 ' O ' ' HA3' ' A' ' 15' ' ' GLY . 57.5 m -87.04 8.38 23.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.936 179.041 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.499 ' HB2' ' O ' ' A' ' 9' ' ' TYR . 6.6 mmm180 -103.26 -27.37 12.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.346 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.3 m -94.66 -30.43 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.25 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.407 ' HD3' HH11 ' A' ' 14' ' ' ARG . 1.9 mtt-85 -144.97 26.02 1.39 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.542 ' HA3' ' O ' ' A' ' 11' ' ' CYS . . . -71.13 108.92 2.64 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.681 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.71 -82.27 0.37 Allowed Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.225 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -130.57 174.06 10.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.794 0.331 . . . . 0.0 110.787 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 97.5 m -131.11 142.83 50.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.974 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.22 158.51 15.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.413 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 22.4 t -83.55 -48.15 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.491 -179.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -111.77 -55.3 2.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.123 -179.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.6 p -142.48 150.64 40.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.17 163.65 1.53 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.014 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.524 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 9.2 mt -93.21 141.19 23.7 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.046 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 24' ' ' LEU . 33.3 Cg_exo -60.53 -16.23 41.2 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.652 2.234 . . . . 0.0 112.553 -179.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.3 mmtt -91.86 6.91 44.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.984 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.524 ' CG ' ' HB2' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -149.86 143.82 25.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.845 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.565 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 11.0 pt-20 -94.19 157.18 16.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.364 179.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.561 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 5.0 tt0 -89.47 140.64 29.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.04 0.448 . . . . 0.0 111.143 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -120.43 -22.4 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.14 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -166.6 -159.16 11.9 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.795 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -120.52 114.83 22.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 110.702 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.1 t -68.06 -9.04 43.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.944 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.449 ' OG ' ' HB2' ' A' ' 38' ' ' ARG . 0.1 OUTLIER -163.84 -83.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.73 179.85 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.7 p -133.12 -159.27 0.95 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 36' ' ' ARG . 12.0 ptt-85 -61.96 -20.66 64.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.024 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.77 -69.97 1.27 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.788 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.596 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 12.8 mtt85 -89.3 162.91 15.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.841 0.353 . . . . 0.0 111.084 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.596 ' HG3' ' C ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -151.17 175.52 12.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.695 -179.908 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.561 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 1.8 m -107.73 121.2 44.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.27 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.565 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -115.88 141.23 48.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.258 -179.91 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.1 ppt_? -120.84 125.21 46.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.342 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -54.31 133.44 45.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.244 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.698 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.448 ' HB2' ' CE1' ' A' ' 9' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.943 0.401 . . . . 0.0 111.027 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -64.74 -3.3 3.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.2 mmtm -82.53 -17.45 44.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.782 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.448 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 5.6 p90 -156.19 32.93 0.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.954 179.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.58 -36.8 68.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.717 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.446 ' O ' ' HA3' ' A' ' 15' ' ' GLY . 15.0 t -80.82 15.87 1.63 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.436 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -114.28 -38.65 4.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.726 179.834 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.5 m -81.76 -29.48 10.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.166 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.8 mtt85 -144.65 19.81 1.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.446 ' HA3' ' O ' ' A' ' 11' ' ' CYS . . . -62.16 126.07 37.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.537 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -104.29 -79.68 1.34 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.513 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.449 HH11 ' HD3' ' A' ' 17' ' ' ARG . 3.7 ptp180 -133.02 175.96 8.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.806 0.336 . . . . 0.0 111.09 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 68.9 m -128.36 145.02 51.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.758 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.12 176.34 5.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.224 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.3 t -84.95 -49.43 15.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.467 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.8 tt -130.76 -51.94 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.81 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -123.18 154.0 39.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.762 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.42 ' H ' ' NZ ' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -53.84 169.25 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.327 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.484 ' HB2' ' HG3' ' A' ' 27' ' ' GLU . 4.5 mm? -89.2 152.36 47.83 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.588 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -73.56 23.66 0.33 Allowed 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.66 2.24 . . . . 0.0 113.114 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -146.91 22.26 1.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.939 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.495 ' HA ' ' HD3' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -157.81 162.7 38.46 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.075 0.464 . . . . 0.0 111.801 -179.648 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.554 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 0.0 OUTLIER -110.75 158.94 18.09 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.818 178.867 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.472 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -88.59 140.99 28.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.062 0.458 . . . . 0.0 111.519 -179.364 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.28 -25.62 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.652 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.449 ' O ' ' HB2' ' A' ' 40' ' ' CYS . . . 169.94 158.91 14.57 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.537 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.18 132.45 53.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.805 0.336 . . . . 0.0 110.59 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 54.0 t -83.09 -39.67 20.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.389 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.6 m -138.28 -87.64 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.036 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.0 p -108.15 -160.94 0.75 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.16 18.34 1.41 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -113.35 -35.78 1.56 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.513 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.601 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 9.6 mtm-85 -110.33 166.12 11.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.712 0.291 . . . . 0.0 110.807 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.601 ' HG3' ' C ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -149.8 173.19 14.01 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.854 -179.791 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.472 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 19.1 m -107.46 120.22 41.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.396 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.554 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -116.78 135.65 53.58 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.087 0.47 . . . . 0.0 111.175 179.258 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.422 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 0.6 OUTLIER -110.56 116.15 30.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.453 -179.83 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.45 ' HA ' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -47.77 144.78 3.16 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.952 0.406 . . . . 0.0 111.397 -179.495 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.495 ' HD3' ' HA ' ' A' ' 27' ' ' GLU . 11.9 mmtt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.885 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.44 ' O ' HD12 ' A' ' 6' ' ' LEU . 1.1 pp . . . . . 0 CA--C 1.527 0.093 0 CA-C-O 121.017 0.436 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -66.17 -3.29 5.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.108 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.36 -12.69 54.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.386 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.433 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -155.48 21.36 0.41 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.335 179.828 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.459 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -59.63 -49.52 77.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.836 0.35 . . . . 0.0 110.601 179.609 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.8 t -81.85 3.01 27.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.108 0.48 . . . . 0.0 110.226 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.4 ttm-85 -93.33 -34.56 13.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.784 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.535 HG23 ' CG ' ' A' ' 14' ' ' ARG . 30.0 m -73.82 -31.83 32.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.157 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.535 ' CG ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -161.81 -62.02 0.05 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.822 179.662 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.473 ' H ' ' HG3' ' A' ' 14' ' ' ARG . . . 56.7 -137.29 48.66 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.516 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -167.82 -100.73 0.14 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.337 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.16 151.02 36.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.707 0.289 . . . . 0.0 110.563 179.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 57.4 m -108.11 137.65 45.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.013 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.35 153.87 18.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.768 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 37.8 t -82.51 -33.89 11.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.266 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -128.46 -62.52 1.03 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.69 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.9 146.69 51.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.478 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.41 173.7 0.17 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.084 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.443 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 4.5 mm? -91.87 145.82 31.76 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.856 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -66.58 -14.74 45.23 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.618 2.212 . . . . 0.0 112.652 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.98 -2.02 53.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.188 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.448 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 0.0 OUTLIER -138.04 146.08 42.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.117 0.484 . . . . 0.0 111.573 -179.737 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.428 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 15.7 tp10 -91.84 156.93 17.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.186 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.586 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 2.6 tt0 -89.0 133.88 34.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.004 0.43 . . . . 0.0 110.934 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -118.55 -19.41 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.603 -179.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -169.18 -161.98 20.54 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.472 -0.87 . . . . 0.0 113.053 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -115.94 93.79 4.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.889 0.376 . . . . 0.0 110.311 179.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -47.26 -35.05 7.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.374 -179.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.414 ' HB2' ' HB2' ' A' ' 38' ' ' ARG . 62.2 m -124.05 -169.95 2.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.843 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 76.3 p -64.68 -75.87 0.08 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.406 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -136.16 131.67 34.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.734 0.302 . . . . 0.0 110.691 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 117.95 -58.81 0.5 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.49 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.544 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 0.4 OUTLIER -84.57 170.1 13.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.753 0.311 . . . . 0.0 110.89 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.544 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -150.31 174.08 13.25 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -179.871 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.586 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 9.1 t -108.44 125.69 52.04 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.916 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.448 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 0.8 OUTLIER -113.47 143.03 45.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.244 -179.695 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.401 ' HD3' HH11 ' A' ' 42' ' ' ARG . 0.0 OUTLIER -128.76 122.76 31.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.146 179.862 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -48.46 128.72 15.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.18 -179.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.0 mttm . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.129 -179.768 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.429 ' HB2' ' CD1' ' A' ' 9' ' ' TYR . 0.6 OUTLIER . . . . . 0 CA--C 1.527 0.063 0 CA-C-O 120.952 0.406 . . . . 0.0 110.966 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.409 ' H ' ' HG3' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -66.33 -7.82 21.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.748 179.877 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.07 -19.13 40.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.798 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.429 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -154.86 31.64 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.772 179.667 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.58 -46.08 77.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.554 179.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 p -83.61 13.15 4.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.43 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.412 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -107.02 -28.21 10.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.691 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.842 HG23 ' HG2' ' A' ' 14' ' ' ARG . 28.8 m -85.91 -21.05 7.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.487 -179.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.842 ' HG2' HG23 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -172.57 33.11 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.885 0.374 . . . . 0.0 110.755 -179.781 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.18 -151.62 1.3 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.797 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -143.05 -89.56 0.11 Allowed Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.581 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.03 162.74 26.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.778 0.323 . . . . 0.0 110.822 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.8 m -117.06 139.35 50.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -99.34 168.73 9.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.95 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.1 t -82.98 -44.36 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.402 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.7 mt -126.42 -77.94 0.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.0 p -102.59 157.49 16.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.647 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.18 170.33 0.34 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.266 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.534 ' HB2' ' HG3' ' A' ' 27' ' ' GLU . 4.1 mm? -88.11 148.83 43.91 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.352 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 24' ' ' LEU . 12.0 Cg_exo -71.25 23.57 0.22 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.022 2.481 . . . . 0.0 113.395 -178.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.13 16.29 1.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.637 0.256 . . . . 0.0 111.134 179.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.534 ' HG3' ' HB2' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -151.79 162.22 41.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.158 0.504 . . . . 0.0 111.806 -179.811 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.58 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 8.9 tp10 -107.55 160.53 15.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.677 179.277 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.542 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 0.9 OUTLIER -87.71 134.93 33.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.054 0.454 . . . . 0.0 110.999 -179.648 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -120.27 -22.21 3.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.376 -179.405 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -166.36 -162.5 17.98 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.967 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.85 106.45 9.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.88 0.372 . . . . 0.0 110.602 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -57.01 -24.65 55.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.968 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 m -125.08 176.86 6.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.525 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.414 ' H ' HG22 ' A' ' 35' ' ' THR . 1.0 OUTLIER -66.48 -44.65 82.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.137 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.6 ptm85 -165.25 107.8 0.82 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.784 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 150.68 -54.94 0.47 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.18 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.545 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 21.7 mtm180 -97.41 177.42 5.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.595 0.236 . . . . 0.0 110.559 179.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.545 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -150.08 170.18 19.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.888 0.375 . . . . 0.0 110.858 -179.853 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.542 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 1.6 m -113.22 124.81 53.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.544 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.58 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 2.7 m -122.11 128.25 51.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.029 0.442 . . . . 0.0 111.944 -179.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.446 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -111.68 131.25 55.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.753 178.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -44.39 120.1 2.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.947 0.403 . . . . 0.0 111.544 -179.094 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.787 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -94.77 137.24 23.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.845 0.355 . . . . 0.0 111.048 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.1 tt -95.41 141.12 15.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.012 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -136.59 -9.31 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.023 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.04 143.15 27.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.474 ' O ' HD12 ' A' ' 6' ' ' LEU . 1.2 pp -161.8 42.76 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.814 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.45 ' H ' ' HG3' ' A' ' 7' ' ' GLN . 2.9 mt-30 -64.84 -2.91 2.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.975 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.06 -15.85 52.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.404 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -154.78 21.4 0.45 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.95 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.412 ' HB2' ' HA ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -61.95 -31.23 71.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.021 0.439 . . . . 0.0 110.242 179.6 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.9 t -93.57 -8.2 41.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.137 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.443 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 1.8 tpp85 -94.74 -20.25 19.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.596 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.1 m -88.28 -32.07 5.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.548 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.78 36.19 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.896 0.379 . . . . 0.0 110.776 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.28 -146.55 0.15 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.732 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -149.25 -97.78 0.18 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.611 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.453 HH22 HH21 ' A' ' 43' ' ' ARG . 1.8 ptp180 -110.35 174.5 5.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.816 0.341 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.8 m -129.84 139.36 51.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.081 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.516 ' O ' ' HG2' ' A' ' 38' ' ' ARG . . . -100.09 158.69 15.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.529 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.0 t -82.59 -38.52 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.309 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.62 -68.27 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.733 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.5 p -112.81 148.89 33.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.343 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.77 173.93 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.104 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.484 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 4.6 mm? -92.11 140.84 24.67 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.552 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 24' ' ' LEU . 36.2 Cg_exo -60.26 -19.33 57.03 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.698 2.265 . . . . 0.0 112.957 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -93.23 7.58 43.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.543 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.484 ' CG ' ' HB2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -150.15 153.95 37.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.057 0.456 . . . . 0.0 111.864 -179.762 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.556 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 7.3 pt-20 -100.19 164.41 11.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.035 179.306 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.623 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 1.6 tt0 -91.16 137.79 32.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.011 0.434 . . . . 0.0 111.078 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -119.22 -22.38 3.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.385 -179.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 179.06 -177.54 48.49 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.431 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -83.56 130.16 34.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.788 0.328 . . . . 0.0 110.591 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.467 ' HB2' ' O ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -97.48 9.78 41.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.313 -179.571 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.412 ' HB2' ' NE ' ' A' ' 38' ' ' ARG . 5.0 t -151.78 -97.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.833 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.41 ' H ' ' HB3' ' A' ' 34' ' ' SER . 1.4 t -171.59 -27.51 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.623 0.249 . . . . 0.0 111.46 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -166.73 108.56 0.69 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.526 -179.865 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.12 -6.94 40.32 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 120.765 -0.731 . . . . 0.0 113.467 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.581 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 47.0 mtp180 -129.39 164.56 23.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.892 0.377 . . . . 0.0 111.445 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.581 ' HG3' ' C ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -150.73 174.97 12.42 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.52 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.623 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 49.8 t -112.45 136.25 52.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.206 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.556 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 1.7 m -123.72 140.38 53.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.43 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.407 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -124.62 120.22 31.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.294 179.384 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.453 HH21 HH22 ' A' ' 17' ' ' ARG . 0.2 OUTLIER -50.24 133.12 24.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.449 -179.213 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.02 136.71 55.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.828 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.2 mptt . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.201 -0.904 . . . . 0.0 111.007 -179.846 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.19 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.7 tt -121.25 128.72 76.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 111.063 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -114.51 113.97 45.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -106.5 46.28 0.93 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.87 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.86 142.58 34.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.1 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 9' ' ' TYR . 1.1 pp -109.67 43.46 1.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.03 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -64.39 -4.41 3.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -82.39 -14.94 54.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.423 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 6' ' ' LEU . 19.4 p90 -155.92 28.32 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -73.2 -35.74 66.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.954 0.407 . . . . 0.0 110.303 179.471 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.579 ' SG ' ' HA3' ' A' ' 15' ' ' GLY . 44.2 t -81.99 -4.14 56.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.344 0.593 . . . . 0.0 109.811 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.92 -30.76 16.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.714 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.928 HG23 ' HG2' ' A' ' 14' ' ' ARG . 28.1 m -84.91 -29.36 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.333 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.928 ' HG2' HG23 ' A' ' 13' ' ' VAL . 3.5 ptt180 -168.5 52.86 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.925 0.393 . . . . 0.0 110.891 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.579 ' HA3' ' SG ' ' A' ' 11' ' ' CYS . . . -86.2 122.87 6.21 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.733 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.74 -82.41 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.113 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -131.78 160.47 35.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.657 0.265 . . . . 0.0 110.401 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.3 m -122.25 135.5 54.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.212 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.501 ' O ' ' HG2' ' A' ' 38' ' ' ARG . . . -99.75 154.4 18.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.551 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.2 t -83.12 -27.71 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.657 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.64 -80.18 0.59 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.87 0.367 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.7 m -131.11 163.55 27.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.825 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -48.45 162.63 0.09 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.143 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.439 ' HB2' ' HG3' ' A' ' 27' ' ' GLU . 4.3 mm? -88.37 149.85 45.53 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.441 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -71.21 24.48 0.22 Allowed 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.875 2.384 . . . . 0.0 112.911 -179.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.428 ' H ' ' C ' ' A' ' 24' ' ' LEU . 4.0 mmtm -146.51 20.99 1.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.738 0.304 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.439 ' HG3' ' HB2' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -157.21 164.75 37.41 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.009 0.433 . . . . 0.0 111.687 -179.83 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.499 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 3.1 pt-20 -110.03 161.6 15.36 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.742 178.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.501 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 1.0 OUTLIER -88.04 142.17 28.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.045 0.45 . . . . 0.0 111.543 -179.214 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -118.47 -22.94 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.019 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 179.79 -151.22 9.83 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.522 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -122.19 115.32 22.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.761 0.315 . . . . 0.0 110.701 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.7 t -75.22 -7.85 55.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.053 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -160.98 178.2 9.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.97 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.4 p -115.98 -1.3 12.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.321 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' ' 36' ' ' ARG . 33.5 mtt-85 -81.3 -3.27 52.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.965 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 115.04 46.39 0.59 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.48 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.519 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 4.7 mtt85 -124.78 176.97 6.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.681 0.277 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.519 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -150.46 161.23 42.92 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.802 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.501 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 4.0 t -108.0 131.5 54.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.052 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.499 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -123.55 143.91 49.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.015 0.436 . . . . 0.0 111.598 -179.857 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -128.23 124.54 36.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.024 179.384 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.417 ' N ' ' HB3' ' A' ' 27' ' ' GLU . 0.7 OUTLIER -39.2 131.19 1.55 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.821 -179.036 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.83 168.88 8.95 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.133 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.879 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.183 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.7 mt -132.35 138.24 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.78 0.324 . . . . 0.0 111.005 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.526 HG13 ' N ' ' A' ' 4' ' ' ASN . 0.6 OUTLIER -79.91 142.69 13.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.922 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.526 ' N ' HG13 ' A' ' 3' ' ' ILE . 70.8 m-80 -108.36 -49.82 3.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.053 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.9 p -75.11 163.68 27.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.291 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.424 ' HB2' ' CE1' ' A' ' 9' ' ' TYR . 0.6 OUTLIER -127.2 38.3 4.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.72 179.737 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -65.03 -1.31 2.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.781 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -83.71 -19.1 35.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.519 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.424 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 3.6 p90 -156.49 36.17 0.32 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.272 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.8 -38.64 67.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.822 0.344 . . . . 0.0 110.768 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 33.1 t -83.58 12.99 4.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.347 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -112.01 -31.63 6.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.007 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.533 HG23 ' HG3' ' A' ' 14' ' ' ARG . 18.7 m -83.4 -37.79 13.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.573 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.533 ' HG3' HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -152.08 26.73 0.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.001 -179.78 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.96 116.48 8.59 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.634 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.2 -79.09 0.21 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -131.96 172.24 12.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.794 0.33 . . . . 0.0 110.98 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.495 ' SG ' ' HD2' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -133.65 142.4 48.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.5 179.786 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -103.5 168.89 8.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.998 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.1 t -82.79 -43.31 18.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.308 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.9 tp -120.75 -70.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.799 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.36 150.59 38.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.766 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.6 174.74 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.98 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.54 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 79.3 mt -92.61 154.12 42.42 Favored Pre-proline 0 C--N 1.332 -0.193 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.023 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.52 -19.0 33.06 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.553 2.169 . . . . 0.0 112.999 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.24 11.02 33.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.56 -179.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.54 ' CG ' ' HB2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -151.13 145.42 25.44 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.904 0.383 . . . . 0.0 111.631 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.556 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 10.3 pt-20 -93.92 163.8 13.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.469 179.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.597 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 1.1 tm0? -90.76 136.76 32.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.902 0.382 . . . . 0.0 111.236 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -121.61 -19.21 4.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.333 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -164.95 -167.69 25.92 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.962 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -110.45 116.86 32.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.874 0.368 . . . . 0.0 110.858 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.463 ' HB3' ' HB3' ' A' ' 38' ' ' ARG . 3.4 t -70.39 -30.58 67.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.006 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.625 ' HB3' ' HE ' ' A' ' 38' ' ' ARG . 0.8 OUTLIER -167.08 154.24 8.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.8 p -86.32 11.59 11.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.263 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.0 mtm105 -98.09 -15.62 19.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.982 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 134.37 42.32 0.14 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.626 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.625 ' HE ' ' HB3' ' A' ' 34' ' ' SER . 67.6 mtm-85 -128.83 167.17 17.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.733 0.302 . . . . 0.0 110.668 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.496 ' HB3' ' HG3' ' A' ' 29' ' ' GLN . 2.8 mptp? -150.41 166.95 28.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.477 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.597 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 2.2 t -105.73 123.44 47.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.556 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.8 OUTLIER -111.76 144.45 41.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.04 0.448 . . . . 0.0 111.534 -179.623 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.405 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 4.6 tmm_? -125.46 115.12 19.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.005 179.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.42 ' N ' ' HB3' ' A' ' 27' ' ' GLU . 2.7 ttt180 -54.02 130.56 38.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.98 -179.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.96 167.8 1.12 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.205 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.963 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.149 0 N-CA-C 112.432 -0.267 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.1 tp -143.56 157.66 16.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.739 0.304 . . . . 0.0 111.157 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.461 ' H ' HD12 ' A' ' 3' ' ' ILE . 2.2 mp -81.47 131.2 34.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -103.62 -43.86 5.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.064 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.24 139.49 51.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.444 ' HB2' ' CE2' ' A' ' 9' ' ' TYR . 0.8 OUTLIER -92.76 49.16 1.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.092 0.472 . . . . 0.0 110.991 -179.881 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.77 -4.81 9.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.555 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.1 mmtp -83.76 -17.73 40.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.144 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.444 ' CE2' ' HB2' ' A' ' 6' ' ' LEU . 4.8 p90 -155.65 30.26 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.414 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.44 -13.99 61.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.94 0.4 . . . . 0.0 110.419 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.613 ' SG ' ' HA3' ' A' ' 15' ' ' GLY . 44.9 t -105.75 -10.1 16.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.698 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -91.62 -6.46 52.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.0 m -103.06 -30.4 2.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.425 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -168.15 25.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.467 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.613 ' HA3' ' SG ' ' A' ' 11' ' ' CYS . . . -58.54 151.14 33.17 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.877 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.97 -100.45 1.0 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.612 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -109.71 179.63 4.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.738 0.304 . . . . 0.0 110.824 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.4 m -128.11 139.22 52.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.184 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.25 161.06 13.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.375 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 23.8 t -81.62 -41.06 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.9 0.381 . . . . 0.0 111.287 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.71 -60.9 0.86 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.374 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.6 t -117.61 144.65 44.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.398 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.66 173.49 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.151 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.516 ' HB2' ' HG3' ' A' ' 27' ' ' GLU . 4.6 mm? -91.02 146.66 34.1 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.784 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 24' ' ' LEU . 24.7 Cg_exo -63.67 -20.28 68.79 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.784 2.323 . . . . 0.0 113.118 -179.138 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.04 2.85 56.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.624 -179.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.516 ' HG3' ' HB2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -145.09 139.35 27.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.993 0.425 . . . . 0.0 111.476 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.521 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -86.89 165.67 15.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.347 179.621 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.558 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 0.6 OUTLIER -90.69 136.56 32.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.966 0.413 . . . . 0.0 110.885 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.404 HG13 ' HB3' ' A' ' 40' ' ' CYS . 1.1 pt -115.36 -22.94 4.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.99 -179.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 178.87 -149.12 8.66 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.611 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -109.58 99.29 8.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.766 0.317 . . . . 0.0 110.248 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -51.48 -83.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.16 -179.484 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.7 t -83.46 -163.28 0.73 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.838 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.6 t -60.33 170.82 1.2 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.187 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -48.73 109.52 0.26 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.125 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 147.48 -25.59 1.52 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.917 -0.658 . . . . 0.0 112.362 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.513 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 34.0 mtt180 -115.83 -175.21 2.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.663 0.268 . . . . 0.0 110.707 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.513 ' HG3' ' C ' ' A' ' 38' ' ' ARG . 0.1 OUTLIER -148.14 164.58 33.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.734 -179.809 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.558 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 9.1 t -107.46 131.81 53.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.435 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.521 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 2.9 m -113.87 144.66 42.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.316 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -121.8 110.54 16.03 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.031 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.438 ' N ' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -59.43 132.27 53.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.181 -179.311 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.1 153.56 51.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.818 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.176 -0.916 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.431 HG13 ' N ' ' A' ' 3' ' ' ILE . 0.7 OUTLIER -77.45 150.56 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.765 0.316 . . . . 0.0 111.145 -179.87 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.431 ' N ' HG13 ' A' ' 2' ' ' ILE . 0.3 OUTLIER -125.21 -173.08 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.22 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -73.8 -1.13 18.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.04 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -137.69 -159.71 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.626 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.406 ' O ' HD12 ' A' ' 6' ' ' LEU . 1.0 OUTLIER -131.49 43.91 3.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.064 0.459 . . . . 0.0 110.805 179.758 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.544 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 5.0 mt-30 -66.38 -4.27 7.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.28 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.87 -12.4 57.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.895 0.379 . . . . 0.0 110.74 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -155.62 17.74 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.537 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.544 ' HB2' ' HA ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -60.47 -33.17 72.19 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.401 179.724 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.599 ' HB2' HG13 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -90.57 -11.46 40.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.891 179.407 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.436 ' HB2' HH11 ' A' ' 12' ' ' ARG . 0.0 OUTLIER -83.84 -23.15 31.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.505 179.516 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.632 HG23 ' HG3' ' A' ' 14' ' ' ARG . 5.8 m -90.77 -44.02 14.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.105 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.632 ' HG3' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -152.79 61.78 0.79 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.794 179.856 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -113.25 -116.6 3.35 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.581 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 179.25 -98.88 0.12 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.674 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -114.42 176.17 5.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.756 0.313 . . . . 0.0 110.796 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.8 m -129.19 136.27 49.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.16 157.51 16.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.816 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.454 ' HB ' HD12 ' A' ' 21' ' ' LEU . 3.9 t -83.0 -28.04 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.459 -179.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.454 HD12 ' HB ' ' A' ' 20' ' ' VAL . 5.6 mp -129.88 -80.67 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.056 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.1 t -110.62 155.36 22.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.987 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.22 172.65 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.147 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.494 ' HB2' ' HG3' ' A' ' 27' ' ' GLU . 3.6 mm? -91.59 150.37 40.95 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.401 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.405 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 69.7 Cg_endo -74.42 27.53 0.34 Allowed 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.536 2.157 . . . . 0.0 112.97 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 25' ' ' PRO . 25.0 mttt -146.86 11.05 1.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.055 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.494 ' HG3' ' HB2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -148.69 164.14 35.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.08 0.467 . . . . 0.0 111.822 -179.523 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.606 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 8.2 pt-20 -108.23 161.68 14.78 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.619 -0.718 . . . . 0.0 109.911 179.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.519 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -90.28 139.51 30.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.082 0.468 . . . . 0.0 111.422 -179.57 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.599 HG13 ' HB2' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -116.88 -28.16 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.441 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 172.17 171.3 36.98 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.427 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.87 126.69 30.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.745 0.307 . . . . 0.0 110.945 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.4 t -89.22 11.51 18.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -159.54 -166.57 1.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 t -117.61 -18.62 9.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.194 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -72.78 -79.97 0.07 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.95 57.36 0.22 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.548 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.571 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 27.3 mtt180 -120.06 -176.84 3.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 110.933 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.571 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -149.67 160.1 43.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.846 -179.711 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.519 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 0.5 OUTLIER -113.25 130.84 56.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.631 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.606 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -121.27 136.57 54.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.128 0.489 . . . . 0.0 111.914 -179.695 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.424 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -112.86 117.14 31.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.266 179.74 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.425 ' N ' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -47.74 136.71 10.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.207 -179.618 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -59.6 160.85 6.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.164 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.5 mttp . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.88 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.122 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.0 tt -163.08 146.23 3.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.785 0.326 . . . . 0.0 111.155 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.463 HG13 ' N ' ' A' ' 4' ' ' ASN . 3.8 tp -130.28 148.34 33.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.287 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.463 ' N ' HG13 ' A' ' 3' ' ' ILE . 31.8 t-20 -76.51 -54.02 7.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.751 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -153.93 158.05 40.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.759 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.433 ' O ' HD12 ' A' ' 6' ' ' LEU . 1.1 pp -122.85 41.81 3.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.916 0.388 . . . . 0.0 111.134 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.473 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -66.26 -2.84 4.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 179.758 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.7 mmtm -82.31 -15.45 52.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.828 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.431 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -154.91 25.37 0.44 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.626 179.584 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.473 ' HB2' ' HA ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -60.37 -29.83 69.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.635 179.755 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.486 ' HA ' ' HA3' ' A' ' 15' ' ' GLY . 0.5 OUTLIER -85.0 -20.52 30.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.68 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -79.14 -45.35 20.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.709 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 9' ' ' TYR . 4.5 m -64.71 -36.0 76.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.001 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.566 ' HG3' ' H ' ' A' ' 15' ' ' GLY . 0.3 OUTLIER -165.22 -72.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 179.809 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.566 ' H ' ' HG3' ' A' ' 14' ' ' ARG . . . 56.52 -130.88 50.69 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.743 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -167.8 -88.63 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.182 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -127.55 151.62 48.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.706 0.289 . . . . 0.0 110.266 179.444 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.1 m -114.27 137.83 51.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.801 0.334 . . . . 0.0 111.435 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.5 156.73 16.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.578 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.0 t -82.54 -32.11 10.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.587 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.454 HD22 ' HA ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -131.93 -69.56 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.818 0.342 . . . . 0.0 110.837 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.0 t -117.92 152.61 35.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.796 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.7 171.37 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.039 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.506 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.8 mm? -92.24 145.3 30.46 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.045 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.98 27.37 0.25 Allowed 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.515 2.143 . . . . 0.0 113.063 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.416 ' H ' ' C ' ' A' ' 24' ' ' LEU . 13.5 mttt -146.83 15.0 1.2 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.936 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.588 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 0.0 OUTLIER -147.78 153.77 39.64 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.095 0.474 . . . . 0.0 111.527 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.5 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 4.4 tp10 -99.72 151.57 21.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.762 179.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.455 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 0.6 OUTLIER -88.7 143.05 27.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.067 0.46 . . . . 0.0 111.26 -179.359 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -121.95 -21.92 3.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.097 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -174.86 -179.08 45.21 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.459 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.43 133.72 35.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.706 0.288 . . . . 0.0 110.274 179.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 8.4 t -84.56 -42.29 15.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.213 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.754 ' HB3' ' HE ' ' A' ' 38' ' ' ARG . 39.9 p -106.7 -77.6 0.59 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.994 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -169.43 -33.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.154 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.454 HH11 ' HD3' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -166.9 -10.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.16 -179.8 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.56 -15.47 22.79 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.835 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.754 ' HE ' ' HB3' ' A' ' 34' ' ' SER . 61.7 mtm180 -132.49 168.68 17.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.793 0.33 . . . . 0.0 111.075 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.543 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -151.02 173.0 14.83 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.561 -179.859 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 17.1 t -114.96 112.1 22.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.697 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.588 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 0.5 OUTLIER -117.65 133.15 56.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.104 0.478 . . . . 0.0 111.845 -179.571 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.507 HH11 ' HB2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -114.98 130.91 57.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.996 179.071 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -41.63 117.79 0.98 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.308 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.02 158.96 17.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.062 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.276 -0.868 . . . . 0.0 110.881 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.231 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.2 tt -102.17 137.75 28.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.825 0.345 . . . . 0.0 111.116 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.4 tt -140.79 155.5 22.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.228 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -92.77 -61.76 1.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.42 ' HB ' ' H ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -139.17 -80.44 0.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.06 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.456 ' HB2' ' CE1' ' A' ' 9' ' ' TYR . 1.0 OUTLIER -168.86 43.33 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.787 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.432 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 18.1 mt-30 -64.59 -3.79 3.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.007 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -81.91 -16.29 51.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.829 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.456 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -154.56 28.06 0.44 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.674 179.629 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.432 ' HB2' ' HA ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -65.53 -26.32 67.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.348 179.544 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.413 ' SG ' ' HA3' ' A' ' 15' ' ' GLY . 45.8 t -87.19 0.54 55.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.426 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -97.3 -33.07 11.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.707 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.416 HG23 ' HG2' ' A' ' 14' ' ' ARG . 16.5 m -83.66 -35.01 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.314 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.416 ' HG2' HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -156.64 46.79 0.44 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.077 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.413 ' HA3' ' SG ' ' A' ' 11' ' ' CYS . . . -83.52 112.95 3.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.576 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.85 -76.78 0.24 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.446 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 -135.22 176.92 8.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.791 0.329 . . . . 0.0 110.867 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 88.2 m -131.93 138.69 48.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.712 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.85 144.06 28.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.9 t -82.52 -19.55 10.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.371 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.5 mp -125.37 -66.68 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.805 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 91.5 p -147.92 155.33 41.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -48.75 152.09 1.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.212 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.557 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 11.8 mt -92.14 137.03 25.18 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.484 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 24' ' ' LEU . 62.6 Cg_exo -53.43 -17.54 9.4 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.742 2.294 . . . . 0.0 112.995 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -95.1 19.69 10.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.389 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.557 ' CG ' ' HB2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -154.99 160.02 40.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.152 0.501 . . . . 0.0 111.877 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.526 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 11.6 tp10 -109.25 149.87 28.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.806 179.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.501 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 1.1 tm0? -86.65 139.88 30.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.085 0.469 . . . . 0.0 111.074 -179.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.401 ' CD1' ' HA2' ' A' ' 15' ' ' GLY . 0.6 OUTLIER -119.3 -23.69 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.105 -179.506 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -172.28 -164.38 27.7 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.405 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 mtmm -111.71 111.21 22.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.862 0.363 . . . . 0.0 110.999 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.9 t -65.94 -18.56 65.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.764 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.7 t -153.11 155.11 36.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.954 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.6 t -92.55 17.44 10.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.236 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -107.31 -74.42 0.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.019 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -159.13 49.97 0.4 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.478 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.48 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 22.7 mtt180 -137.79 169.88 17.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.763 0.316 . . . . 0.0 110.723 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -150.21 171.19 17.33 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.736 -179.819 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.501 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 8.7 t -111.94 117.87 33.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.927 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.526 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -119.32 144.4 46.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.014 0.435 . . . . 0.0 111.409 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.67 127.6 45.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.447 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.89 142.1 0.52 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.106 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.682 ' H ' ' HE2' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -60.26 175.12 0.45 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.274 0.559 . . . . 0.0 110.996 -179.761 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.983 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.168 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -164.66 146.16 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.756 0.312 . . . . 0.0 110.712 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.3 tt -166.4 139.52 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.227 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -143.75 -70.48 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.7 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.28 -167.13 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.452 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 0.7 OUTLIER -83.8 119.96 25.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.063 0.459 . . . . 0.0 111.068 -179.875 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.545 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -130.9 -14.83 3.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.217 179.637 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.58 -4.65 57.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.188 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.427 ' CE2' ' HB2' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -153.49 16.61 0.53 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.601 -179.723 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.545 ' HB2' ' HA ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -59.05 -33.03 70.31 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.355 179.693 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.527 ' SG ' ' HA3' ' A' ' 15' ' ' GLY . 0.1 OUTLIER -87.66 -11.15 49.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.148 179.417 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -87.05 -24.87 24.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.917 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.9 m -88.11 -35.72 8.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.756 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -175.09 46.69 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.823 0.344 . . . . 0.0 111.087 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.527 ' HA3' ' SG ' ' A' ' 11' ' ' CYS . . . -72.19 -128.66 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.684 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -173.71 -99.44 0.12 Allowed Glycine 0 N--CA 1.453 -0.19 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.594 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.412 ' HD2' HD23 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -113.35 179.76 3.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.719 0.295 . . . . 0.0 110.718 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -134.24 146.18 49.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.05 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.6 154.35 21.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 38.6 t -82.68 -38.18 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.826 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.23 -63.94 0.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.85 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.61 145.25 45.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.797 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.29 172.19 0.34 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.452 ' HB2' ' HG3' ' A' ' 27' ' ' GLU . 4.5 mm? -93.27 138.93 22.9 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.529 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.89 -17.2 35.7 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.525 2.15 . . . . 0.0 112.684 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -94.16 11.64 29.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.172 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.452 ' HG3' ' HB2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -156.4 155.59 32.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.006 0.432 . . . . 0.0 111.477 -179.805 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.627 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 0.2 OUTLIER -103.42 163.43 12.28 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.106 179.243 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.619 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -88.24 134.8 33.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.999 0.428 . . . . 0.0 111.329 -179.645 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.427 HG23 ' OE2' ' A' ' 28' ' ' GLU . 0.4 OUTLIER -124.55 -19.87 3.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.457 -179.749 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -158.54 -173.44 26.95 Favored Glycine 0 N--CA 1.453 -0.178 0 C-N-CA 120.238 -0.982 . . . . 0.0 113.214 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -114.09 113.02 24.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.869 0.366 . . . . 0.0 110.491 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.2 t -62.7 -17.33 60.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.36 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.414 ' HB3' ' H ' ' A' ' 35' ' ' THR . 5.6 t -139.53 -98.18 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.99 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.414 ' H ' ' HB3' ' A' ' 34' ' ' SER . 0.1 OUTLIER -136.16 -43.07 0.64 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.845 0.355 . . . . 0.0 110.996 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.405 ' H ' ' H ' ' A' ' 37' ' ' GLY . 1.2 ptp180 -161.93 -12.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.831 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.405 ' H ' ' H ' ' A' ' 36' ' ' ARG . . . -81.36 -60.47 2.23 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.416 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.57 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 36.4 mtm180 -94.32 173.24 7.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.715 0.293 . . . . 0.0 110.796 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.57 ' HG3' ' C ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -150.51 173.25 14.29 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.718 -179.885 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.619 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -112.62 130.97 55.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.638 179.738 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.627 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 1.3 m -122.93 133.51 54.39 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -179.277 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.412 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 4.0 ppt_? -111.09 122.7 48.56 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.191 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.1 ttp85 -53.57 141.22 26.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.28 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.88 160.41 28.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.793 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.248 -0.882 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.96 142.48 41.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.912 0.387 . . . . 0.0 111.194 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.47 HG13 ' N ' ' A' ' 4' ' ' ASN . 0.5 OUTLIER -82.64 138.12 19.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.032 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.47 ' N ' HG13 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -128.9 -13.02 4.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.78 179.823 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.56 -173.17 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.01 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.48 ' O ' HD12 ' A' ' 6' ' ' LEU . 1.2 pp -161.71 41.21 0.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.587 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -66.08 -2.05 3.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.866 179.562 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.36 -13.28 57.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.092 0.472 . . . . 0.0 110.392 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.496 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -154.33 13.28 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.527 179.401 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.587 ' HB2' ' HA ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -60.49 -45.78 92.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.04 179.367 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -80.15 -5.11 55.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.775 178.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.496 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 5.7 ttm180 -82.98 -44.3 15.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.713 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.816 HG23 ' HG2' ' A' ' 14' ' ' ARG . 34.7 m -64.28 -30.29 49.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.91 0.386 . . . . 0.0 110.806 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.816 ' HG2' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -144.35 -71.33 0.28 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.51 179.377 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 51.23 90.2 0.01 OUTLIER Glycine 0 C--N 1.332 0.319 0 C-N-CA 121.208 -0.52 . . . . 0.0 112.806 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.09 -85.79 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.612 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -126.76 179.24 5.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.668 0.271 . . . . 0.0 110.503 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 87.0 m -134.0 139.56 46.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 111.237 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.99 172.4 6.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.773 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.478 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 15.2 t -83.41 -47.6 18.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.235 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.4 tp -135.13 -49.72 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.117 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.0 p -117.99 140.72 49.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.78 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.96 176.39 0.21 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.242 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.457 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 4.3 mm? -92.05 149.15 38.25 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.868 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.61 27.07 0.39 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.747 2.298 . . . . 0.0 112.645 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -142.32 2.15 1.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.445 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.457 ' CG ' ' HB2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -143.07 144.86 32.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.18 -179.816 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.615 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 7.2 pt-20 -92.64 161.77 14.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.25 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.595 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 16.9 tt0 -91.18 141.82 28.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.994 0.426 . . . . 0.0 111.672 -179.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.452 HG13 ' HB2' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -121.44 -22.08 3.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.171 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -175.18 -161.01 24.05 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.788 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -111.15 118.55 36.28 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.855 0.359 . . . . 0.0 110.364 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.9 t -70.56 -48.22 56.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.348 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.08 152.13 46.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.983 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.7 t -74.62 -15.74 60.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.174 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.9 mtt180 -64.99 -65.71 0.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.34 45.91 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.496 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.558 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 20.4 mtm-85 -116.77 179.06 4.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.737 0.303 . . . . 0.0 110.744 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.558 ' HG3' ' C ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -149.81 166.91 28.05 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.953 -179.704 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.595 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 0.2 OUTLIER -108.28 119.88 40.76 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.245 179.88 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.615 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -116.67 129.66 56.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.525 -179.869 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.442 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -115.7 130.28 56.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.415 179.482 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -50.02 133.72 22.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.392 -179.379 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.41 ' HG3' ' HA ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -124.45 129.12 50.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.878 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.782 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.92 162.36 39.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.837 0.351 . . . . 0.0 110.921 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.606 HD13 ' H ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -115.79 143.13 26.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 179.705 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -80.53 -33.11 36.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.756 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.5 p -59.37 138.66 57.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.823 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.475 ' HB2' ' CE2' ' A' ' 9' ' ' TYR . 1.0 OUTLIER -102.84 41.17 1.27 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.102 0.477 . . . . 0.0 110.999 -179.778 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -64.55 -4.74 4.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.076 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -84.17 -13.41 52.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.235 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.475 ' CE2' ' HB2' ' A' ' 6' ' ' LEU . 4.8 p90 -155.14 29.86 0.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.939 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.29 -35.0 71.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.503 179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.721 ' HA ' ' HA3' ' A' ' 15' ' ' GLY . 5.8 t -81.63 7.24 12.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.433 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.488 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -107.57 -24.25 11.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.708 -179.719 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.552 HG23 ' HG2' ' A' ' 14' ' ' ARG . 27.9 m -91.29 -33.94 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.764 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.552 ' HG2' HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -169.43 33.66 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.819 0.343 . . . . 0.0 110.899 -179.764 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.721 ' HA3' ' HA ' ' A' ' 11' ' ' CYS . . . -72.63 139.79 28.15 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.774 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.83 -100.64 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.534 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.443 HH11 ' HD3' ' A' ' 17' ' ' ARG . 4.7 ptp180 -105.46 172.06 6.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.814 0.34 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.9 m -133.52 136.61 45.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.077 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -103.46 167.07 10.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.7 t -84.13 -42.76 17.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.342 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.1 -80.34 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.744 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 40.6 t -104.53 150.8 24.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.74 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.21 175.72 0.69 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.557 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 3.6 mm? -93.73 148.26 35.05 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.423 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -68.52 -15.43 41.57 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.445 2.096 . . . . 0.0 113.009 -179.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.468 ' O ' ' HD3' ' A' ' 44' ' ' LYS . 0.6 OUTLIER -94.61 1.25 55.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.66 0.267 . . . . 0.0 111.313 -179.711 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.596 ' HB3' ' N ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -142.42 146.86 35.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.057 0.456 . . . . 0.0 111.667 -179.79 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.542 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 2.1 pt-20 -92.07 162.11 14.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.157 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.635 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 1.9 tt0 -91.46 136.06 33.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.923 0.392 . . . . 0.0 111.013 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -119.81 -15.2 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.317 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -179.74 -156.06 16.82 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.726 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 39' ' ' LYS . 16.7 mttp -125.35 104.38 8.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.857 0.36 . . . . 0.0 110.634 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.3 t -52.84 -63.29 1.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.359 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.0 t -102.38 163.0 12.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.8 p -97.66 -0.41 45.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.4 mmm-85 -77.61 -41.85 37.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.963 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 156.59 49.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.326 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.566 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 11.2 mtt180 -124.67 -174.49 3.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.88 0.371 . . . . 0.0 111.03 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.566 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -149.35 164.96 33.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.921 -179.781 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.635 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 6.5 t -109.28 131.42 55.08 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.058 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 1.5 m -118.76 145.14 45.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.454 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.439 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -128.29 108.5 10.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.377 179.76 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.596 ' N ' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -52.97 137.43 32.74 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.236 -179.403 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.533 ' HE3' ' HB3' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -119.65 66.66 0.81 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.183 0.516 . . . . 0.0 110.93 179.789 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.874 179.906 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.225 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -125.25 78.15 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.855 0.359 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.729 HG12 HD23 ' A' ' 6' ' ' LEU . 1.7 tt -157.1 99.78 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.969 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -109.53 51.61 0.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.138 -179.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.649 HG22 HG13 ' A' ' 3' ' ' ILE . 5.3 t -125.8 -13.48 6.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.267 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.729 HD23 HG12 ' A' ' 3' ' ' ILE . 0.9 OUTLIER -88.94 38.19 0.87 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.01 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -66.08 -0.54 2.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.69 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -82.2 -25.0 34.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.328 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.454 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 1.4 p90 -150.65 34.67 0.62 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.349 -0.842 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.76 -19.88 61.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.364 179.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.728 ' HA ' ' HA3' ' A' ' 15' ' ' GLY . 0.1 OUTLIER -91.95 0.54 57.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.569 179.686 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.08 -13.22 15.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.67 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.5 m -100.8 -37.54 5.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.31 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -164.35 30.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.728 ' HA3' ' HA ' ' A' ' 11' ' ' CYS . . . -72.24 132.3 18.58 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.53 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.39 -91.66 0.23 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.58 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -122.13 -174.95 3.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.734 0.302 . . . . 0.0 110.722 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 74.9 m -132.43 142.58 49.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.34 154.27 18.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.2 t -83.07 -36.55 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.419 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.495 HD12 ' H ' ' A' ' 22' ' ' SER . 0.1 OUTLIER -130.98 -62.67 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.62 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.495 ' H ' HD12 ' A' ' 21' ' ' LEU . 63.3 p -122.84 147.85 46.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.476 179.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -55.32 171.45 0.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.232 -179.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.436 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 4.3 mm? -90.0 146.46 35.15 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.692 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 24' ' ' LEU . 11.8 Cg_exo -71.34 25.28 0.23 Allowed 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.947 2.431 . . . . 0.0 112.995 -179.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.42 ' H ' ' C ' ' A' ' 24' ' ' LEU . 11.9 mmtt -144.82 9.15 1.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.755 0.312 . . . . 0.0 110.944 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.428 ' CG ' ' HB2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -147.72 142.4 26.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.219 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.555 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 17.1 tp10 -89.69 158.37 17.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.253 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.618 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 1.6 tm0? -88.71 137.96 31.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.926 0.393 . . . . 0.0 111.018 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.412 ' CD1' ' HA2' ' A' ' 15' ' ' GLY . 0.2 OUTLIER -117.42 -25.54 2.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.124 -179.629 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -175.65 -171.8 39.89 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.589 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -99.97 111.77 24.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.339 . . . . 0.0 110.745 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.7 t -57.93 -39.15 77.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.126 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -111.59 -163.84 0.88 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.917 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 p -71.29 -47.29 57.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.122 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -166.48 138.17 3.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.98 -44.76 1.42 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.662 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.0 mtm-85 -97.56 -178.65 4.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.844 0.354 . . . . 0.0 111.122 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.401 ' HB2' ' HG3' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -154.48 173.06 16.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.22 -179.724 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.618 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 1.5 m -116.11 125.13 51.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.662 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.522 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 1.5 m -118.5 134.86 54.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.965 0.412 . . . . 0.0 111.579 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.71 129.84 52.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.246 179.38 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.03 133.33 3.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.53 -179.304 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.34 165.74 21.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.987 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.301 -0.856 . . . . 0.0 110.841 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.164 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.6 mm -91.45 140.72 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.778 0.323 . . . . 0.0 111.122 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.3 pp -110.34 149.87 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.231 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -95.06 -73.59 0.58 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.011 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.7 p -67.97 122.19 17.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.224 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.456 ' HB2' ' CE2' ' A' ' 9' ' ' TYR . 0.9 OUTLIER -76.41 125.7 29.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.09 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.587 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -138.81 -16.81 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.321 179.678 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.3 mmtt -81.78 -3.37 53.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.743 179.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.456 ' CE2' ' HB2' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -152.73 21.42 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.24 179.556 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.587 ' HB2' ' HA ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -63.2 -35.47 80.43 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.129 179.484 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.401 ' HA ' ' CA ' ' A' ' 15' ' ' GLY . 1.3 t -85.24 0.95 50.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.247 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -94.88 -38.42 10.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.81 HG23 ' HG2' ' A' ' 14' ' ' ARG . 10.4 m -73.36 -25.5 21.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.053 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.81 ' HG2' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -160.98 -63.84 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.449 179.732 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.679 ' HA2' HD12 ' A' ' 30' ' ' ILE . . . 53.67 -145.53 23.81 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 121.007 -0.616 . . . . 0.0 113.079 179.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -173.69 -93.0 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 121.091 -0.576 . . . . 0.0 112.256 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -123.47 173.11 8.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.755 0.312 . . . . 0.0 110.689 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.8 m -130.43 135.63 48.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.982 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -103.39 167.07 10.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.106 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 36.8 t -83.2 -46.89 18.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.065 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.426 ' O ' ' HD2' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -120.77 -78.23 0.59 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.562 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.3 t -104.11 153.83 20.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.509 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.21 174.82 0.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.467 ' HB2' ' HG3' ' A' ' 27' ' ' GLU . 3.2 mm? -90.32 136.97 27.89 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.729 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 24' ' ' LEU . 52.4 Cg_exo -55.68 -21.48 32.03 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.784 2.323 . . . . 0.0 113.15 -179.295 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.1 mtmm -93.28 13.95 19.78 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.757 0.313 . . . . 0.0 111.298 -179.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.584 ' HB3' ' HA ' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -156.2 166.66 32.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.147 0.499 . . . . 0.0 111.698 -179.858 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.539 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 1.5 pt-20 -113.52 165.38 12.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.802 179.208 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.593 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 6.5 tt0 -88.45 137.04 32.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.082 0.467 . . . . 0.0 111.157 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.679 HD12 ' HA2' ' A' ' 15' ' ' GLY . 0.2 OUTLIER -119.82 -21.87 4.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.026 -179.486 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -167.15 -148.98 5.82 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.572 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.584 ' HA ' ' HA ' ' A' ' 39' ' ' LYS . 1.6 ptmm? -136.26 105.35 5.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.823 0.344 . . . . 0.0 110.836 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.6 t -61.51 -33.2 73.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.941 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.404 ' OG ' ' HD2' ' A' ' 38' ' ' ARG . 0.8 OUTLIER -144.21 143.87 31.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.7 p -91.5 11.46 23.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.081 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -92.14 -13.19 31.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.776 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.73 44.29 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.427 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.591 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 21.1 mtt180 -138.82 175.65 9.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.666 0.27 . . . . 0.0 110.874 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.591 ' HG3' ' C ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -150.94 169.91 20.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.799 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.593 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 1.3 m -106.96 134.97 49.31 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.089 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.539 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 8.5 m -113.69 155.64 25.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.116 0.484 . . . . 0.0 111.677 -179.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.479 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 11.0 tpp180 -132.25 104.67 6.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.841 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.584 ' HA ' ' HB3' ' A' ' 27' ' ' GLU . 8.3 ttp180 -56.73 142.71 39.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.673 -178.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.489 ' HE2' ' HG2' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -102.58 171.18 7.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.908 179.819 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.142 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.3 mt -121.54 143.61 33.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.715 0.293 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -62.25 135.35 26.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.855 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -60.5 -58.01 10.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.201 -179.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.634 HG22 ' HG3' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -76.19 91.97 3.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.425 -179.72 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.474 ' HB2' ' CE1' ' A' ' 9' ' ' TYR . 0.9 OUTLIER -108.24 39.49 1.96 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.631 179.622 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.634 ' HG3' HG22 ' A' ' 5' ' ' THR . 24.3 mt-30 -64.33 -4.42 3.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.066 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.28 -14.99 54.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.86 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.474 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 2.2 p90 -157.19 29.65 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.06 179.566 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.417 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -67.95 -40.64 83.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.588 179.762 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.5 t -80.26 2.04 26.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.997 179.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 12' ' ' ARG . 5.6 ttt-85 -96.14 -45.43 6.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.648 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.601 HG23 ' CG ' ' A' ' 14' ' ' ARG . 19.7 m -57.47 -29.15 32.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 121.041 0.448 . . . . 0.0 110.647 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.601 ' CG ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -149.24 -67.68 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.172 179.157 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.06 101.88 0.01 OUTLIER Glycine 0 C--N 1.331 0.3 0 C-N-CA 121.161 -0.542 . . . . 0.0 113.0 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.3 -83.35 0.15 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.581 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.447 HH11 ' HD2' ' A' ' 17' ' ' ARG . 1.3 ptm85 -136.29 166.63 22.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.792 0.33 . . . . 0.0 110.85 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 68.8 m -114.21 134.85 54.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.659 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.8 159.61 14.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.945 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.443 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 22.7 t -83.56 -48.98 16.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.405 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 tp -118.78 -54.47 2.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.962 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.38 150.03 52.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.808 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -57.41 172.57 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.272 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.58 HD13 ' HD2' ' A' ' 25' ' ' PRO . 2.7 mm? -93.37 140.73 23.3 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.643 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.58 ' HD2' HD13 ' A' ' 24' ' ' LEU . 21.0 Cg_endo -60.84 -17.73 52.31 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.688 2.258 . . . . 0.0 112.74 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.451 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 8.4 mttt -95.8 13.95 24.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.52 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.487 ' HG3' ' HB2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -154.02 146.34 23.89 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.828 0.347 . . . . 0.0 111.39 179.885 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.542 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 4.1 pt-20 -95.71 159.67 14.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.871 179.173 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.506 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 13.4 tt0 -88.97 141.18 28.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.035 0.445 . . . . 0.0 111.375 -179.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.32 -21.24 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.117 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -169.64 -155.67 10.22 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.541 -0.838 . . . . 0.0 112.997 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.6 mttp -114.6 102.6 10.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.882 0.373 . . . . 0.0 110.338 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -63.91 -8.67 11.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.347 -179.616 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.2 t -138.86 -96.22 0.17 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.167 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.404 HG23 ' H ' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -137.88 -63.42 0.57 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.02 -179.864 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.404 ' H ' HG23 ' A' ' 35' ' ' THR . 20.6 ttp-105 -150.03 -20.76 0.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.946 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.51 -37.51 17.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.46 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.562 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 3.5 mtt180 -109.09 173.92 6.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.639 0.256 . . . . 0.0 110.669 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.562 ' HG3' ' C ' ' A' ' 38' ' ' ARG . 1.4 mptt -150.44 169.39 21.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.899 0.38 . . . . 0.0 110.932 -179.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.506 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 11.5 t -106.52 123.05 47.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.638 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -120.6 136.82 54.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.905 0.383 . . . . 0.0 111.741 -179.26 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.469 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -112.42 122.79 48.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.312 179.353 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.427 ' N ' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -50.2 146.48 5.0 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.48 -179.273 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -55.61 148.2 16.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.11 -179.845 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.893 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.229 0 N-CA-C 112.546 -0.222 . . . . 0.0 112.546 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.8 mm -93.86 125.88 46.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.77 0.319 . . . . 0.0 111.199 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.5 tt -112.88 138.18 43.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -57.33 -52.98 63.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.8 m -137.79 134.1 34.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.482 ' HB2' ' CE1' ' A' ' 9' ' ' TYR . 1.2 pp -131.92 39.42 3.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.966 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -65.04 -2.55 2.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.023 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.406 ' HB2' ' CD2' ' A' ' 9' ' ' TYR . 4.6 mmmm -83.73 -14.7 51.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.482 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 0.4 OUTLIER -154.89 25.31 0.44 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.209 179.764 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.52 -24.94 66.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.993 0.425 . . . . 0.0 110.388 179.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.0 t -88.69 -1.2 57.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.582 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.8 mmm-85 -98.49 -24.28 15.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.761 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.69 HG23 ' HG3' ' A' ' 14' ' ' ARG . 16.0 m -86.45 -29.71 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.338 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.69 ' HG3' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -166.88 42.12 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.874 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.6 133.8 25.7 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.719 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.01 -101.05 0.92 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.569 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.0 ptm85 -106.77 -174.84 2.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.737 0.303 . . . . 0.0 110.952 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.7 m -137.22 133.79 35.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.065 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.68 164.34 11.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.533 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 9.5 t -83.4 -49.16 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.378 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.53 -40.36 0.8 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.626 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.88 138.56 51.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.727 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.67 171.06 1.23 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.979 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.453 ' HB2' ' HG2' ' A' ' 27' ' ' GLU . 55.6 mt -90.21 147.61 37.33 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.931 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.64 -14.7 46.04 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.576 2.184 . . . . 0.0 112.613 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -94.24 1.32 56.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.344 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.473 ' HG3' ' HB2' ' A' ' 41' ' ' CYS . 0.0 OUTLIER -147.22 143.53 28.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.031 0.443 . . . . 0.0 111.675 -179.577 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.614 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 0.0 OUTLIER -93.01 165.14 13.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.215 179.368 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.599 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 0.8 OUTLIER -90.05 137.07 32.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.003 0.43 . . . . 0.0 111.301 -179.643 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.559 HG23 ' OE2' ' A' ' 28' ' ' GLU . 0.3 OUTLIER -121.51 -21.32 3.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.125 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -168.08 -159.03 12.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.774 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -117.92 116.83 27.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.815 0.341 . . . . 0.0 110.793 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 46.5 t -71.23 -6.7 41.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.786 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.7 t -156.88 174.56 15.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.786 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -57.4 -38.93 75.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.087 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -171.6 145.34 2.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.922 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 107.57 -35.33 5.07 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.913 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.561 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 17.1 mtt180 -117.67 172.56 7.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.902 0.382 . . . . 0.0 111.239 -179.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.561 ' HG3' ' C ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -150.04 171.97 15.99 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.512 -179.868 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.599 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 26.0 m -109.36 123.83 49.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.864 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.614 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -115.8 131.89 56.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.709 -179.421 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -117.18 126.28 52.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.185 179.22 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.88 134.23 25.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.34 -179.24 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.19 162.34 23.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.91 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 112.552 -0.219 . . . . 0.0 112.552 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.6 mt -121.71 114.35 42.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.758 0.313 . . . . 0.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -130.32 136.71 57.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.208 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -134.46 -25.04 1.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.27 -88.67 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.546 ' O ' HD12 ' A' ' 6' ' ' LEU . 1.5 pp -172.23 30.99 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.06 0.457 . . . . 0.0 110.775 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -65.4 0.55 1.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.808 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.418 ' H ' ' C ' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -82.18 -14.12 56.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 -179.872 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -154.75 22.48 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.304 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.43 -51.13 60.13 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.162 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.7 t -71.89 -15.48 62.11 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 178.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -87.47 -22.85 24.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.824 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.718 HG12 ' HG2' ' A' ' 14' ' ' ARG . 0.4 OUTLIER -81.84 -22.81 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.683 -179.873 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.718 ' HG2' HG12 ' A' ' 13' ' ' VAL . 1.0 OUTLIER -156.03 -60.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.496 179.474 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.78 88.51 0.01 OUTLIER Glycine 0 C--N 1.332 0.316 0 CA-C-N 116.035 -0.53 . . . . 0.0 113.091 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.26 -91.68 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.011 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.51 163.36 15.87 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 179.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.7 m -132.39 134.24 44.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.878 0.371 . . . . 0.0 111.303 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.487 ' O ' ' HG2' ' A' ' 38' ' ' ARG . . . -101.44 155.67 17.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.566 179.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.5 t -82.47 -22.71 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.36 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.27 -86.81 0.54 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.016 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.9 t -110.52 153.11 25.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.808 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -61.86 168.36 3.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.485 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 31.9 mt -91.07 146.58 33.9 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.972 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -66.84 -11.66 32.94 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.431 2.088 . . . . 0.0 112.308 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.79 0.3 54.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.048 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.485 ' CG ' ' HB2' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -146.7 150.08 34.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.102 0.477 . . . . 0.0 111.615 -179.795 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.566 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 2.7 pt-20 -96.97 164.34 12.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.168 179.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.532 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -89.07 139.39 30.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.058 0.456 . . . . 0.0 111.216 -179.531 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -118.67 -20.18 5.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.128 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 175.79 154.1 11.11 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.46 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -67.51 123.93 21.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.849 0.357 . . . . 0.0 110.78 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.403 ' H ' ' HA ' ' A' ' 39' ' ' LYS . 6.6 t -71.35 -30.51 66.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.943 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.5 m -154.62 174.64 14.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.9 p -96.64 -7.8 33.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.195 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.7 mtm180 -74.84 -44.11 50.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 155.33 47.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.502 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.565 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 5.1 mtt180 -125.93 171.38 10.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.663 0.268 . . . . 0.0 110.815 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.565 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 0.2 OUTLIER -150.82 163.38 38.77 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.904 0.383 . . . . 0.0 111.063 -179.708 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.532 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 57.0 m -108.25 127.2 53.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.79 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.566 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.5 OUTLIER -117.6 137.59 52.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.047 0.451 . . . . 0.0 111.826 -179.506 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.41 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 0.6 OUTLIER -117.46 118.59 32.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.032 179.347 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.432 ' N ' ' HB3' ' A' ' 27' ' ' GLU . 9.4 mtp180 -52.05 141.79 17.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.313 -179.29 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.2 mmtp -53.71 119.81 5.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.214 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.205 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.584 HG13 ' H ' ' A' ' 3' ' ' ILE . 0.8 OUTLIER -165.18 171.65 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.766 0.317 . . . . 0.0 111.09 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.584 ' H ' HG13 ' A' ' 2' ' ' ILE . 0.9 OUTLIER -70.82 135.26 28.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.133 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -62.75 -35.48 79.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.731 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.553 ' HB ' ' HG3' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -102.04 178.79 4.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.882 179.889 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.497 ' HB2' ' CE1' ' A' ' 9' ' ' TYR . 1.0 OUTLIER -111.58 38.04 2.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.955 0.407 . . . . 0.0 110.933 179.895 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.571 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 6.5 mt-30 -65.58 -2.29 3.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.85 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.93 -14.44 57.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.006 0.431 . . . . 0.0 110.446 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.497 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -155.21 15.09 0.4 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.462 179.213 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.571 ' HB2' ' HA ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -63.92 -32.03 73.42 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.429 ' O ' ' HA3' ' A' ' 15' ' ' GLY . 0.0 OUTLIER -91.21 15.27 12.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.803 179.132 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.495 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -110.42 -28.1 8.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.489 -179.854 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.4 m -84.45 -28.03 6.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.438 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -156.4 12.77 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.935 0.398 . . . . 0.0 110.438 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.429 ' HA3' ' O ' ' A' ' 11' ' ' CYS . . . -73.04 146.25 37.71 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.671 -179.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.42 -75.47 1.1 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.959 -0.639 . . . . 0.0 112.643 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -133.69 -171.5 2.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.853 0.359 . . . . 0.0 111.041 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 m -132.73 143.78 49.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.969 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.63 167.06 10.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.021 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.438 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -83.93 -45.86 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.44 -179.688 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.444 ' HA ' ' O ' ' A' ' 37' ' ' GLY . 0.1 OUTLIER -127.13 -60.54 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.784 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.88 154.95 35.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.829 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.469 ' SG ' ' HG3' ' A' ' 29' ' ' GLN . 0.5 OUTLIER -52.83 166.12 0.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.927 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.577 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 3.0 mm? -91.05 148.55 38.21 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.579 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.457 ' C ' ' HG2' ' A' ' 26' ' ' LYS . 13.4 Cg_exo -70.57 22.47 0.2 Allowed 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.92 2.414 . . . . 0.0 113.003 -179.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.457 ' HG2' ' C ' ' A' ' 25' ' ' PRO . 3.7 mttm -144.01 19.8 1.78 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.644 0.259 . . . . 0.0 111.114 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.609 ' HA ' ' HG3' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -153.25 160.06 42.7 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.951 0.405 . . . . 0.0 111.807 -179.874 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.597 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 5.0 pt-20 -106.44 153.77 21.78 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.768 179.091 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.558 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -88.67 137.98 31.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.141 0.496 . . . . 0.0 111.558 -179.164 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.463 HD12 ' HG2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -123.86 -22.1 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.958 -179.844 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -162.46 -162.25 13.23 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.748 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -125.17 108.38 11.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.805 0.336 . . . . 0.0 110.716 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 t -60.36 -23.01 63.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.095 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 p -139.6 166.65 24.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.6 p -59.82 -40.25 87.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.08 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -167.28 103.26 0.53 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.444 ' O ' ' HA ' ' A' ' 21' ' ' LEU . . . 149.63 -34.12 1.06 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.43 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.535 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 10.3 mtm180 -123.49 172.7 8.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.718 0.294 . . . . 0.0 110.777 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.535 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 3.1 mptp? -150.91 173.07 14.7 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.766 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.558 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 57.2 m -110.46 112.22 24.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.097 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.597 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -120.59 131.55 54.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.961 0.41 . . . . 0.0 111.4 179.73 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.467 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -111.74 129.83 55.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.482 179.509 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.84 136.27 22.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.376 -179.386 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.609 ' HG3' ' HA ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -116.38 133.34 56.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.901 179.855 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 pttt . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.882 -179.979 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 N-CA-C 112.422 -0.271 . . . . 0.0 112.422 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 35.8 mm -71.63 136.15 26.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.722 0.296 . . . . 0.0 110.91 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.431 HG12 HG22 ' A' ' 5' ' ' THR . 7.0 tt -106.06 145.33 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -143.16 62.02 1.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.19 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.431 HG22 HG12 ' A' ' 3' ' ' ILE . 9.6 t -132.02 -20.52 2.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.299 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.496 ' HB2' ' CE1' ' A' ' 9' ' ' TYR . 1.1 pp -97.0 36.44 1.42 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.437 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 4.4 mt-30 -65.61 -1.0 2.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.657 179.362 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.06 -15.32 56.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.643 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.499 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -155.2 17.38 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.977 179.748 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.437 ' HB2' ' HA ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -66.08 -28.7 69.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.114 0.483 . . . . 0.0 109.745 179.254 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.542 ' O ' ' HA3' ' A' ' 15' ' ' GLY . 57.5 m -87.04 8.38 23.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.936 179.041 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.499 ' HB2' ' O ' ' A' ' 9' ' ' TYR . 6.6 mmm180 -103.26 -27.37 12.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.346 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.3 m -94.66 -30.43 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.25 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.407 ' HD3' HH11 ' A' ' 14' ' ' ARG . 1.9 mtt-85 -144.97 26.02 1.39 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.542 ' HA3' ' O ' ' A' ' 11' ' ' CYS . . . -71.13 108.92 2.64 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.681 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.71 -82.27 0.37 Allowed Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.225 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -130.57 174.06 10.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.794 0.331 . . . . 0.0 110.787 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 97.5 m -131.11 142.83 50.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.974 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.22 158.51 15.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.413 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 22.4 t -83.55 -48.15 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.491 -179.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -111.77 -55.3 2.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.123 -179.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.6 p -142.48 150.64 40.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.17 163.65 1.53 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.014 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.524 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 9.2 mt -93.21 141.19 23.7 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.046 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 24' ' ' LEU . 33.3 Cg_exo -60.53 -16.23 41.2 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.652 2.234 . . . . 0.0 112.553 -179.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.3 mmtt -91.86 6.91 44.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.984 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.524 ' CG ' ' HB2' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -149.86 143.82 25.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.845 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.565 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 11.0 pt-20 -94.19 157.18 16.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.364 179.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.561 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 5.0 tt0 -89.47 140.64 29.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.04 0.448 . . . . 0.0 111.143 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -120.43 -22.4 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.14 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -166.6 -159.16 11.9 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.795 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -120.52 114.83 22.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 110.702 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.1 t -68.06 -9.04 43.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.944 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.449 ' OG ' ' HB2' ' A' ' 38' ' ' ARG . 0.1 OUTLIER -163.84 -83.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.73 179.85 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.7 p -133.12 -159.27 0.95 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 36' ' ' ARG . 12.0 ptt-85 -61.96 -20.66 64.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.024 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.77 -69.97 1.27 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.788 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.596 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 12.8 mtt85 -89.3 162.91 15.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.841 0.353 . . . . 0.0 111.084 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.596 ' HG3' ' C ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -151.17 175.52 12.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.695 -179.908 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.561 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 1.8 m -107.73 121.2 44.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.27 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.565 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -115.88 141.23 48.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.258 -179.91 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.1 ppt_? -120.84 125.21 46.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.342 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -54.31 133.44 45.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.244 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.24 154.46 50.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.698 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.3 -0.857 . . . . 0.0 110.961 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.5 tt -149.28 143.88 18.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.878 0.37 . . . . 0.0 111.165 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mt -87.25 122.83 39.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.299 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -122.9 -22.73 5.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.761 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.0 146.4 45.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.948 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.448 ' HB2' ' CE1' ' A' ' 9' ' ' TYR . 0.9 OUTLIER -107.85 40.71 1.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.027 -179.871 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -64.74 -3.3 3.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.2 mmtm -82.53 -17.45 44.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.782 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.448 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 5.6 p90 -156.19 32.93 0.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.954 179.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.58 -36.8 68.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.717 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.446 ' O ' ' HA3' ' A' ' 15' ' ' GLY . 15.0 t -80.82 15.87 1.63 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.436 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -114.28 -38.65 4.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.726 179.834 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.5 m -81.76 -29.48 10.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.166 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.8 mtt85 -144.65 19.81 1.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.446 ' HA3' ' O ' ' A' ' 11' ' ' CYS . . . -62.16 126.07 37.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.537 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -104.29 -79.68 1.34 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.513 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.449 HH11 ' HD3' ' A' ' 17' ' ' ARG . 3.7 ptp180 -133.02 175.96 8.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.806 0.336 . . . . 0.0 111.09 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 68.9 m -128.36 145.02 51.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.758 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.12 176.34 5.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.224 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.3 t -84.95 -49.43 15.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.467 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.8 tt -130.76 -51.94 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.81 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -123.18 154.0 39.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.762 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.42 ' H ' ' NZ ' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -53.84 169.25 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.327 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.484 ' HB2' ' HG3' ' A' ' 27' ' ' GLU . 4.5 mm? -89.2 152.36 47.83 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.588 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -73.56 23.66 0.33 Allowed 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.66 2.24 . . . . 0.0 113.114 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -146.91 22.26 1.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.939 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.495 ' HA ' ' HD3' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -157.81 162.7 38.46 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.075 0.464 . . . . 0.0 111.801 -179.648 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.554 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 0.0 OUTLIER -110.75 158.94 18.09 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.818 178.867 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.472 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -88.59 140.99 28.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.062 0.458 . . . . 0.0 111.519 -179.364 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.28 -25.62 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.652 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.449 ' O ' ' HB2' ' A' ' 40' ' ' CYS . . . 169.94 158.91 14.57 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.537 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.18 132.45 53.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.805 0.336 . . . . 0.0 110.59 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 54.0 t -83.09 -39.67 20.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.389 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.6 m -138.28 -87.64 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.036 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.0 p -108.15 -160.94 0.75 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.16 18.34 1.41 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -113.35 -35.78 1.56 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.513 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.601 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 9.6 mtm-85 -110.33 166.12 11.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.712 0.291 . . . . 0.0 110.807 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.601 ' HG3' ' C ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -149.8 173.19 14.01 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.854 -179.791 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.472 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 19.1 m -107.46 120.22 41.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.396 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.554 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -116.78 135.65 53.58 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.087 0.47 . . . . 0.0 111.175 179.258 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.422 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 0.6 OUTLIER -110.56 116.15 30.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.453 -179.83 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.45 ' HA ' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -47.77 144.78 3.16 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.952 0.406 . . . . 0.0 111.397 -179.495 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.495 ' HD3' ' HA ' ' A' ' 27' ' ' GLU . 11.9 mmtt -70.16 118.94 13.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.885 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.135 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.5 ' H ' HG13 ' A' ' 2' ' ' ILE . 1.2 mt -78.32 124.63 37.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.845 0.355 . . . . 0.0 111.083 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.458 HG13 ' H ' ' A' ' 4' ' ' ASN . 0.5 OUTLIER -76.36 158.71 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.272 -179.892 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.458 ' H ' HG13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -131.84 -65.31 0.75 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.898 179.887 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.42 -174.73 2.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.084 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.44 ' O ' HD12 ' A' ' 6' ' ' LEU . 1.1 pp -119.36 43.15 2.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.017 0.436 . . . . 0.0 111.129 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -66.17 -3.29 5.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.108 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.36 -12.69 54.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.386 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.433 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -155.48 21.36 0.41 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.335 179.828 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.459 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -59.63 -49.52 77.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.836 0.35 . . . . 0.0 110.601 179.609 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.8 t -81.85 3.01 27.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.108 0.48 . . . . 0.0 110.226 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.4 ttm-85 -93.33 -34.56 13.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.784 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.535 HG23 ' CG ' ' A' ' 14' ' ' ARG . 30.0 m -73.82 -31.83 32.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.157 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.535 ' CG ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -161.81 -62.02 0.05 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.822 179.662 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.473 ' H ' ' HG3' ' A' ' 14' ' ' ARG . . . 56.7 -137.29 48.66 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.516 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -167.82 -100.73 0.14 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.337 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.16 151.02 36.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.707 0.289 . . . . 0.0 110.563 179.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 57.4 m -108.11 137.65 45.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.013 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.35 153.87 18.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.768 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 37.8 t -82.51 -33.89 11.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.266 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -128.46 -62.52 1.03 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.69 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.9 146.69 51.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.478 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.41 173.7 0.17 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.084 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.443 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 4.5 mm? -91.87 145.82 31.76 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.856 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -66.58 -14.74 45.23 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.618 2.212 . . . . 0.0 112.652 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.98 -2.02 53.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.188 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.448 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 0.0 OUTLIER -138.04 146.08 42.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.117 0.484 . . . . 0.0 111.573 -179.737 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.428 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 15.7 tp10 -91.84 156.93 17.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.186 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.586 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 2.6 tt0 -89.0 133.88 34.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.004 0.43 . . . . 0.0 110.934 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -118.55 -19.41 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.603 -179.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -169.18 -161.98 20.54 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.472 -0.87 . . . . 0.0 113.053 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -115.94 93.79 4.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.889 0.376 . . . . 0.0 110.311 179.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -47.26 -35.05 7.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.374 -179.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.414 ' HB2' ' HB2' ' A' ' 38' ' ' ARG . 62.2 m -124.05 -169.95 2.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.843 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 76.3 p -64.68 -75.87 0.08 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.406 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -136.16 131.67 34.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.734 0.302 . . . . 0.0 110.691 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 117.95 -58.81 0.5 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.49 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.544 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 0.4 OUTLIER -84.57 170.1 13.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.753 0.311 . . . . 0.0 110.89 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.544 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -150.31 174.08 13.25 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -179.871 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.586 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 9.1 t -108.44 125.69 52.04 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.916 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.448 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 0.8 OUTLIER -113.47 143.03 45.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.244 -179.695 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.401 ' HD3' HH11 ' A' ' 42' ' ' ARG . 0.0 OUTLIER -128.76 122.76 31.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.146 179.862 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -48.46 128.72 15.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.18 -179.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -63.11 166.64 5.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.129 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.98 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.228 0 N-CA-C 112.585 -0.206 . . . . 0.0 112.585 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.8 mm -66.98 91.74 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.799 0.333 . . . . 0.0 111.176 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.599 HD11 ' HB3' ' A' ' 6' ' ' LEU . 1.1 pp -99.2 -177.44 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.098 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.39 -170.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.25 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.06 111.88 1.67 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.051 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.599 ' HB3' HD11 ' A' ' 3' ' ' ILE . 0.6 OUTLIER -93.85 58.24 2.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.966 -179.923 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.409 ' H ' ' HG3' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -66.33 -7.82 21.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.748 179.877 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.07 -19.13 40.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.798 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.429 ' CD1' ' HB2' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -154.86 31.64 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.772 179.667 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.58 -46.08 77.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.554 179.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 p -83.61 13.15 4.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.43 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.412 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -107.02 -28.21 10.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.691 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.842 HG23 ' HG2' ' A' ' 14' ' ' ARG . 28.8 m -85.91 -21.05 7.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.487 -179.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.842 ' HG2' HG23 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -172.57 33.11 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.885 0.374 . . . . 0.0 110.755 -179.781 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.18 -151.62 1.3 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.797 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -143.05 -89.56 0.11 Allowed Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.581 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.03 162.74 26.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.778 0.323 . . . . 0.0 110.822 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.8 m -117.06 139.35 50.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -99.34 168.73 9.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.95 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.1 t -82.98 -44.36 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.402 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.7 mt -126.42 -77.94 0.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.0 p -102.59 157.49 16.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.647 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.18 170.33 0.34 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.266 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.534 ' HB2' ' HG3' ' A' ' 27' ' ' GLU . 4.1 mm? -88.11 148.83 43.91 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.352 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 24' ' ' LEU . 12.0 Cg_exo -71.25 23.57 0.22 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.022 2.481 . . . . 0.0 113.395 -178.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.13 16.29 1.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.637 0.256 . . . . 0.0 111.134 179.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.534 ' HG3' ' HB2' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -151.79 162.22 41.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.158 0.504 . . . . 0.0 111.806 -179.811 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.58 ' O ' ' HA ' ' A' ' 41' ' ' CYS . 8.9 tp10 -107.55 160.53 15.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.677 179.277 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.542 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 0.9 OUTLIER -87.71 134.93 33.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.054 0.454 . . . . 0.0 110.999 -179.648 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -120.27 -22.21 3.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.376 -179.405 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -166.36 -162.5 17.98 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.967 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.85 106.45 9.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.88 0.372 . . . . 0.0 110.602 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -57.01 -24.65 55.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.968 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 m -125.08 176.86 6.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.525 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.414 ' H ' HG22 ' A' ' 35' ' ' THR . 1.0 OUTLIER -66.48 -44.65 82.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.137 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.6 ptm85 -165.25 107.8 0.82 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.784 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 150.68 -54.94 0.47 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.18 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.545 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 21.7 mtm180 -97.41 177.42 5.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.595 0.236 . . . . 0.0 110.559 179.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.545 ' HG3' ' O ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -150.08 170.18 19.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.888 0.375 . . . . 0.0 110.858 -179.853 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.542 ' O ' ' HA ' ' A' ' 29' ' ' GLN . 1.6 m -113.22 124.81 53.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.544 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.58 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 2.7 m -122.11 128.25 51.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.029 0.442 . . . . 0.0 111.944 -179.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.446 ' C ' ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -111.68 131.25 55.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.753 178.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -44.39 120.1 2.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.947 0.403 . . . . 0.0 111.544 -179.094 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.2 167.63 13.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.787 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 stop_ save_