data_2joy_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 2joy _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.427 ' O ' HG21 ' A' ' 4' ' ' ILE . 38.9 mm . . . . . 0 CA--C 1.532 0.26 0 CA-C-O 122.642 1.211 . . . . 0.0 108.423 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -161.74 173.45 14.62 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.0 -1.455 . . . . 0.0 108.217 -176.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.525 HG12 ' HA ' ' A' ' 65' ' ' LYS . 34.7 m -55.43 148.03 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.18 0.514 . . . . 0.0 111.86 -178.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.26 -35.13 4.32 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.967 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.409 ' HD2' ' HA ' ' A' ' 8' ' ' ARG . 6.7 tpt180 -83.05 124.8 30.78 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.794 0.331 . . . . 0.0 110.743 -177.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.487 HD12 HG23 ' A' ' 61' ' ' ILE . 56.7 mt -86.06 142.97 12.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.665 -178.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.493 ' HA ' ' HA ' ' A' ' 56' ' ' PRO . 8.7 p -128.41 163.15 25.5 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.082 178.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.8 p -145.98 151.49 14.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.61 -176.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.505 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 91.0 mttt -66.02 100.48 0.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 174.104 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--N 1.323 -0.547 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.212 -178.888 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.433 0 N-CA-C 114.008 0.363 . . . . 0.0 114.008 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.505 ' HB2' ' HD2' ' A' ' 12' ' ' LYS . 32.2 m -156.73 124.01 5.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 117.424 0.612 . . . . 0.0 110.909 177.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -122.14 137.3 54.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.767 177.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 57.3 m -144.15 160.67 40.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.938 0.399 . . . . 0.0 111.339 -174.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.0 p -129.29 147.54 33.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.117 175.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.518 HG12 HG11 ' A' ' 35' ' ' VAL . 62.9 mt -83.72 129.92 36.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.2 p -113.6 -35.43 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.699 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -132.59 131.44 41.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.146 0.498 . . . . 0.0 110.836 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.1 mp -106.54 123.08 61.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.293 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.406 HD12 ' N ' ' A' ' 28' ' ' ILE . 3.8 mp -92.38 -43.5 13.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 177.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -160.5 -163.62 1.11 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.435 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.07 -32.28 72.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.784 0.326 . . . . 0.0 111.435 -179.274 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -101.85 -45.98 5.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.974 178.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -77.82 107.86 10.64 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.122 -174.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.7 m -132.3 150.81 33.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.996 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 tp -105.57 116.5 32.04 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.204 177.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.518 HG11 HG12 ' A' ' 24' ' ' ILE . 27.0 m -106.81 144.18 16.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.173 178.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.6 t -151.37 176.44 11.26 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.321 -177.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.505 ' HA3' ' HB ' ' A' ' 44' ' ' VAL . . . -146.51 179.02 23.8 Favored Glycine 0 N--CA 1.443 -0.834 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 176.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.77 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 23.4 Cg_exo -63.65 114.28 2.49 Favored 'Trans proline' 0 C--O 1.238 0.5 0 C-N-CA 122.576 2.184 . . . . 0.0 111.641 179.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -59.34 -59.57 5.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.01 -175.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -81.0 -15.32 56.54 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.884 -173.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.77 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 67.6 mt -88.58 -60.45 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.327 -176.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.536 ' HB ' HG21 ' A' ' 44' ' ' VAL . 4.8 m -106.65 -30.62 8.88 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.984 0.421 . . . . 0.0 111.466 -175.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.23 51.41 5.0 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.385 -175.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.536 HG21 ' HB ' ' A' ' 42' ' ' THR . 57.8 t -93.47 115.34 32.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.97 0.414 . . . . 0.0 110.454 -179.103 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -68.88 127.74 34.2 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.427 178.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -78.75 142.89 36.66 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.1 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -148.31 144.67 27.74 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.171 0.51 . . . . 0.0 110.882 178.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -102.02 115.47 30.61 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.773 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.4 m -125.61 169.34 17.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.445 -176.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -103.01 28.79 5.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.954 176.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 61.3 mt 56.16 82.03 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.592 -173.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 60.0 tp -83.97 -55.12 4.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.98 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 -158.31 74.51 0.7 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 177.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 54.0 tp -136.7 126.75 26.06 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.305 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.44 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 34.8 mt-10 -124.88 130.47 24.22 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-O 120.626 0.25 . . . . 0.0 110.513 -176.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.493 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 12.4 Cg_exo -70.53 152.72 65.53 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.842 2.361 . . . . 0.0 112.643 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.3 t -99.48 -167.56 1.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.907 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -84.66 -26.03 28.07 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.808 -175.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -77.15 149.26 35.63 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.467 0.651 . . . . 0.0 112.096 -172.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.458 ' HB3' ' HE2' ' A' ' 60' ' ' LYS . 15.8 ttpt -141.15 140.16 34.03 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.046 -177.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.487 HG23 HD12 ' A' ' 9' ' ' ILE . 27.1 pt -100.52 160.53 3.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 175.295 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -97.71 89.96 4.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.8 0.333 . . . . 0.0 110.639 -175.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 45.7 pt -141.57 173.09 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.172 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -108.51 175.35 5.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.262 177.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.525 ' HA ' HG12 ' A' ' 6' ' ' VAL . 29.7 ttpt -83.52 115.36 22.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.12 0.486 . . . . 0.0 110.677 -178.146 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 108.98 52.76 0.64 Allowed Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -176.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -104.66 178.96 4.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.243 0.544 . . . . 0.0 111.309 -175.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.456 ' H ' ' HB3' ' A' ' 71' ' ' GLU . 78.0 p -129.8 174.38 9.78 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.804 178.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -59.79 -39.23 84.23 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.953 173.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -58.34 -52.46 65.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.52 176.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.456 ' HB3' ' H ' ' A' ' 68' ' ' SER . 36.9 tp10 -54.99 -55.1 34.65 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.735 -1.12 . . . . 0.0 111.191 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 98.4 t -59.86 -43.4 91.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.012 -177.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -60.94 -44.64 96.96 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -178.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -70.19 -44.63 68.32 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.362 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 75' ' ' LYS . 30.0 mmtp -70.17 -31.61 69.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.877 0.37 . . . . 0.0 111.195 -178.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 29.7 tp -70.58 -40.59 73.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.74 175.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -58.19 -50.96 71.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.448 178.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -58.28 -40.77 82.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.403 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.3 m -77.94 -2.9 39.17 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.646 -177.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 63.9 18.85 11.44 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.53 0.681 . . . . 0.0 111.342 176.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 28.2 tp -96.57 5.89 49.85 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.324 0.583 . . . . 0.0 110.226 -176.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.4 t -62.2 -43.27 99.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.773 -177.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -65.04 -40.93 95.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.723 -176.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -63.04 -36.81 84.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.779 177.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 10.2 tpt -78.33 -26.1 46.71 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.112 0.482 . . . . 0.0 110.274 -178.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 44.0 tttp -79.16 -25.71 42.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.592 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -48.34 120.6 3.73 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.416 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.0 pttp . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.787 -177.227 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.521 HG23 HD13 ' A' ' 24' ' ' ILE . 47.2 mm . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.876 0.37 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.563 ' OE1' ' HB2' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -140.43 175.2 9.8 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.08 177.356 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 42.9 t -69.93 127.95 32.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.361 -174.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.87 6.67 63.38 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.571 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.619 ' HB3' HD11 ' A' ' 24' ' ' ILE . 3.4 tpt180 -76.55 133.21 39.77 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.886 0.374 . . . . 0.0 110.722 -179.45 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 50.4 mm -83.98 114.14 24.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 173.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.9 p -116.27 140.49 49.26 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.379 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.8 p -99.6 146.98 7.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.345 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.508 ' HE3' ' HB2' ' A' ' 20' ' ' SER . 9.5 ptpt -76.99 85.74 3.51 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.082 176.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.9 t . . . . . 0 C--N 1.325 -0.485 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 178.525 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.433 ' O ' ' HG3' ' A' ' 88' ' ' LYS . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 113.541 0.176 . . . . 0.0 113.541 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.508 ' HB2' ' HE3' ' A' ' 12' ' ' LYS . 14.6 m -154.3 152.7 30.58 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 122.345 -0.503 . . . . 0.0 110.552 178.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.2 mptt -119.09 146.44 45.09 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 173.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 51.8 m -122.79 146.31 47.64 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.925 0.393 . . . . 0.0 110.254 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.2 t -108.29 125.78 65.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.122 -179.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.619 HD11 ' HB3' ' A' ' 8' ' ' ARG . 47.3 mt -78.51 96.71 2.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.7 m -98.05 -25.5 4.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -173.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.505 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 25.3 t70 -142.39 134.63 27.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.996 0.426 . . . . 0.0 111.093 -177.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.0 mm -100.24 113.35 35.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.492 177.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 62.9 mt -90.02 -53.86 8.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.091 0.472 . . . . 0.0 110.483 -177.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.496 ' CG ' ' H ' ' A' ' 30' ' ' ASP . 14.4 t70 -133.33 -151.2 0.44 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.496 ' H ' ' CG ' ' A' ' 29' ' ' ASP . 37.2 t70 -74.51 -53.53 9.29 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.751 0.31 . . . . 0.0 111.011 -177.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -107.38 -27.75 10.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.805 175.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.451 ' HB2' ' HB3' ' A' ' 29' ' ' ASP . 67.6 m-85 -70.76 105.07 3.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.527 178.431 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.2 m -122.35 162.69 21.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.847 0.356 . . . . 0.0 110.441 178.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.505 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . 6.4 tt -103.95 116.63 32.6 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 177.358 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 30.2 m -113.65 151.15 15.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.524 -178.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.439 ' HB ' ' HB3' ' A' ' 46' ' ' ARG . 15.3 t -161.95 170.77 18.78 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.798 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -125.49 159.43 20.01 Favored Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 173.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.433 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 51.8 Cg_exo -53.16 122.07 10.52 Favored 'Trans proline' 0 C--O 1.237 0.442 0 C-N-CA 122.469 2.113 . . . . 0.0 111.434 178.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -65.66 -29.27 69.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.977 0.418 . . . . 0.0 110.879 -174.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.849 ' HB3' ' HE2' ' A' ' 73' ' ' LYS . 39.0 t70 -93.61 5.68 50.79 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.013 -175.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.611 HG13 ' HD3' ' A' ' 73' ' ' LYS . 65.1 mt -129.17 -79.39 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.036 0.446 . . . . 0.0 111.182 178.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.92 -40.08 61.06 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.468 -172.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.97 36.41 28.29 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.469 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.3 t -95.35 120.49 44.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 178.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.9 pttt -67.8 141.98 56.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.168 0.509 . . . . 0.0 111.45 -178.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.439 ' HB3' ' HB ' ' A' ' 36' ' ' THR . 10.6 ptm180 -82.36 131.01 35.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.269 -177.364 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -159.37 169.95 22.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.235 177.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -90.42 133.16 35.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.039 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.9 t -136.77 147.4 27.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 178.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -98.14 24.88 6.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.705 0.288 . . . . 0.0 111.453 -177.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.491 ' O ' HG21 ' A' ' 51' ' ' ILE . 17.3 mm 60.49 27.23 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 CA-C-O 121.791 0.805 . . . . 0.0 110.515 -179.491 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.5 tp -42.58 -46.15 4.82 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 114.698 -1.137 . . . . 0.0 112.702 -178.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.69 44.68 1.1 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.232 0.539 . . . . 0.0 110.465 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.482 HD22 ' HA ' ' A' ' 51' ' ' ILE . 3.4 mm? -109.72 159.26 17.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.715 179.002 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -151.91 130.69 6.41 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-O 120.532 0.206 . . . . 0.0 110.607 178.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -67.08 123.29 10.75 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.789 2.326 . . . . 0.0 111.73 176.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.1 p -134.63 143.94 47.58 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.713 -176.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 t70 63.45 -158.14 0.32 Allowed 'General case' 0 C--O 1.236 0.393 0 O-C-N 124.013 0.82 . . . . 0.0 110.799 172.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -78.41 147.97 33.83 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.067 0.46 . . . . 0.0 110.961 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.521 ' HE3' ' OE1' ' A' ' 5' ' ' GLU . 0.0 OUTLIER -118.05 157.39 26.91 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.09 -179.414 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 22.3 pt -86.97 124.11 40.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.144 0.497 . . . . 0.0 110.397 178.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.403 ' HA ' ' HZ3' ' A' ' 60' ' ' LYS . 11.9 t70 -84.13 90.52 7.5 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.035 0.445 . . . . 0.0 110.376 -176.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 36.1 pt -127.14 173.9 11.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.829 -177.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -99.26 154.04 18.48 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.628 177.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -69.38 115.56 8.79 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 119.92 34.01 1.02 Allowed Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.528 -0.629 . . . . 0.0 111.528 -176.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.95 149.68 25.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.73 0.3 . . . . 0.0 110.609 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.402 ' O ' HG22 ' A' ' 72' ' ' VAL . 21.4 m -95.62 158.84 15.27 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.714 -178.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -58.44 -39.53 80.11 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.128 0.489 . . . . 0.0 110.872 -179.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -63.34 -51.72 64.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.93 175.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 62.2 tt0 -56.1 -46.78 78.96 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.876 -1.057 . . . . 0.0 111.573 -177.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.402 HG22 ' O ' ' A' ' 68' ' ' SER . 94.7 t -59.8 -48.04 89.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.646 0.26 . . . . 0.0 111.025 179.305 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.849 ' HE2' ' HB3' ' A' ' 40' ' ' ASP . 9.2 mtmp? -70.25 -27.0 64.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.839 0.352 . . . . 0.0 111.085 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -63.64 -42.15 98.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.514 0.673 . . . . 0.0 109.301 174.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.813 ' HE2' ' HA ' ' A' ' 75' ' ' LYS . 9.9 mmpt? -67.14 -41.14 86.62 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.433 176.068 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.3 mt -64.63 -27.51 68.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.415 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.78 -50.87 31.19 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 177.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -62.3 -36.09 81.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.328 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 47.1 t -83.81 -16.64 43.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.242 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 65.4 13.55 8.89 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.48 0.657 . . . . 0.0 110.774 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.4 tp -86.46 3.4 44.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.941 -174.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.6 t -57.99 -40.99 82.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.838 -178.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -64.23 -41.55 96.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.543 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -62.47 -42.74 99.69 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.008 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -43.66 76.7 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -178.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -56.18 -41.4 75.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.288 -178.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -48.65 126.93 12.69 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 123.751 0.657 . . . . 0.0 111.97 -173.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.454 ' HB2' ' HE3' ' A' ' 88' ' ' LYS . 23.1 ttmt . . . . . 0 C--N 1.321 -0.665 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.97 -175.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.719 HG13 HD11 ' A' ' 51' ' ' ILE . 48.6 mm . . . . . 0 C--O 1.234 0.245 0 CA-C-O 121.693 0.759 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.513 ' HB2' ' HB2' ' A' ' 8' ' ' ARG . 11.5 mp0 -98.64 139.0 35.01 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.139 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.7 m -64.37 120.51 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.13 0.49 . . . . 0.0 110.065 174.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.81 -10.13 62.26 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.061 -176.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.513 ' HB2' ' HB2' ' A' ' 5' ' ' GLU . 59.2 ttt180 -81.85 132.4 35.27 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.32 -0.518 . . . . 0.0 109.745 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.457 HD11 ' HE2' ' A' ' 85' ' ' MET . 17.9 mm -85.61 129.79 37.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.896 -171.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.5 p -125.81 141.47 51.98 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.353 0.597 . . . . 0.0 111.412 -178.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.1 p -107.54 152.76 9.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.462 -0.79 . . . . 0.0 108.97 177.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.0 134.72 38.69 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.879 0.371 . . . . 0.0 110.409 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--N 1.321 -0.67 0 CA-C-O 122.842 1.306 . . . . 0.0 109.124 -179.896 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.298 0 N-CA-C 112.694 -0.163 . . . . 0.0 112.694 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.5 m -96.82 164.49 12.54 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 178.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -110.4 149.75 29.8 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.6 p -143.88 155.75 44.21 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.795 0.331 . . . . 0.0 110.602 177.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.3 t -111.49 133.18 57.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.415 -177.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.521 HG13 HG12 ' A' ' 35' ' ' VAL . 4.3 mp -78.37 112.27 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 174.284 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.0 p -99.28 -28.3 3.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -173.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -147.56 144.46 28.5 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.791 -177.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.0 mm -102.73 87.65 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.36 -178.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 54.7 mt -71.36 -46.84 62.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.376 0.608 . . . . 0.0 109.638 177.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.499 ' HB3' ' HB2' ' A' ' 32' ' ' PHE . 18.2 t70 -138.26 170.69 15.58 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.314 -0.857 . . . . 0.0 108.833 177.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -81.62 -18.83 43.34 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 120.85 0.357 . . . . 0.0 111.149 -174.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -124.74 -10.33 7.28 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.283 0.563 . . . . 0.0 110.191 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.499 ' HB2' ' HB3' ' A' ' 29' ' ' ASP . 91.2 m-85 -121.69 101.55 7.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.601 174.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.0 m -111.54 169.11 4.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.755 0.312 . . . . 0.0 111.347 -175.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -103.85 116.3 32.04 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 178.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.521 HG12 HG13 ' A' ' 24' ' ' ILE . 30.0 m -111.32 143.69 20.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.139 0.495 . . . . 0.0 110.487 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.2 t -136.97 156.28 48.65 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.773 177.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.5 176.1 18.01 Favored Glycine 0 N--CA 1.439 -1.1 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 177.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.535 ' HB2' ' H ' ' A' ' 42' ' ' THR . 38.0 Cg_exo -60.87 108.37 0.54 Allowed 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.391 2.061 . . . . 0.0 111.437 177.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -66.04 -43.93 86.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.498 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -79.96 -44.26 20.6 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.076 -178.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.436 ' HB ' ' CB ' ' A' ' 38' ' ' PRO . 68.3 mt -76.78 -60.88 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.101 -0.5 . . . . 0.0 112.036 -172.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.535 ' H ' ' HB2' ' A' ' 38' ' ' PRO . 9.9 m -91.94 -38.74 12.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.96 0.409 . . . . 0.0 111.431 -175.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.83 39.36 5.54 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.708 -176.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.48 HG23 ' HB ' ' A' ' 42' ' ' THR . 53.8 t -87.72 131.2 36.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 0.0 110.639 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -96.21 118.32 32.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.69 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.438 ' O ' ' HD2' ' A' ' 46' ' ' ARG . 4.2 ppt_? -70.66 140.39 51.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.371 0.605 . . . . 0.0 112.108 -173.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -159.99 158.39 30.51 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -82.25 133.9 35.27 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.9 m -126.05 167.46 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.133 0.492 . . . . 0.0 111.796 -173.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -107.64 132.37 53.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.417 177.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.719 HD11 HG13 ' A' ' 4' ' ' ILE . 39.7 mt -76.06 83.83 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.403 0.62 . . . . 0.0 110.366 -178.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.9 tt -119.62 -65.32 1.17 Allowed 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.268 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -109.83 49.83 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.269 0.557 . . . . 0.0 111.165 -178.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.1 mp -109.9 130.62 55.5 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.789 177.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.422 ' OE2' ' HD2' ' A' ' 56' ' ' PRO . 0.5 OUTLIER -119.45 119.36 31.69 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -179.629 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.422 ' HD2' ' OE2' ' A' ' 55' ' ' GLU . 38.4 Cg_exo -62.12 133.2 42.71 Favored 'Trans proline' 0 N--CA 1.464 -0.208 0 C-N-CA 122.675 2.25 . . . . 0.0 111.693 176.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 73.2 p -87.7 -171.44 3.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -178.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -80.39 -26.55 38.48 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.956 0.408 . . . . 0.0 111.084 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -93.97 158.82 15.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.522 0.677 . . . . 0.0 112.034 -175.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -161.47 124.16 3.08 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.783 -1.098 . . . . 0.0 109.261 178.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 30.5 pt -93.63 139.15 18.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.978 0.418 . . . . 0.0 109.894 178.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -90.13 99.54 12.53 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.173 0.511 . . . . 0.0 110.648 -178.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 39.7 pt -126.63 -174.47 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.737 -178.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -104.69 165.31 11.15 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.278 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -78.2 62.63 2.95 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.528 0.68 . . . . 0.0 110.156 178.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.02 47.87 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.29 -178.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.434 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . . . -120.32 120.33 35.72 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 120.726 0.298 . . . . 0.0 110.25 -178.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.0 m -91.68 -172.9 3.36 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.004 -176.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -53.56 -24.76 14.53 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.799 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.06 -51.76 35.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.591 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.434 ' HB3' ' HB3' ' A' ' 67' ' ' ALA . 46.2 tp10 -72.49 -36.59 68.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.873 -179.248 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 95.3 t -59.45 -37.84 71.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.005 0.431 . . . . 0.0 110.109 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.818 ' HB2' ' HZ2' ' A' ' 73' ' ' LYS . 4.4 ttmp? -64.8 -39.52 93.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.479 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -58.72 -52.07 67.27 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.15 0.5 . . . . 0.0 110.06 176.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.698 ' HE2' ' HA ' ' A' ' 75' ' ' LYS . 10.4 mmpt? -59.51 -44.45 93.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.979 -178.216 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.493 HD21 ' HG3' ' A' ' 85' ' ' MET . 5.5 mp -59.7 -39.21 83.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.232 178.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -65.06 -49.45 70.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.579 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -56.49 -44.68 80.92 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.407 178.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.3 m -85.01 -7.97 58.92 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.977 -176.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 58.51 37.24 25.56 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.737 0.779 . . . . 0.0 109.513 -176.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.495 ' HG ' ' HB3' ' A' ' 84' ' ' TYR . 15.1 tp -106.23 22.37 15.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.598 -171.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.5 m -59.48 -50.88 72.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.966 -176.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -59.85 -35.9 75.73 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.145 0.497 . . . . 0.0 110.865 -176.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.495 ' HB3' ' HG ' ' A' ' 81' ' ' LEU . 82.5 t80 -52.78 -39.95 62.75 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.921 -177.165 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.493 ' HG3' HD21 ' A' ' 76' ' ' LEU . 24.2 mmt -83.14 -26.59 30.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.81 0.338 . . . . 0.0 111.877 -176.48 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -92.3 -11.06 36.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.321 0.581 . . . . 0.0 110.206 -177.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -70.79 129.23 38.56 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.181 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 65.3 pttt . . . . . 0 C--N 1.318 -0.786 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 170.254 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.3 mm . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 121.374 0.606 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -115.27 131.19 57.01 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.064 177.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.9 m -57.57 119.11 2.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.341 0.591 . . . . 0.0 110.109 175.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.66 -16.91 10.33 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.013 -177.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.513 ' HA ' ' NE ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -90.37 103.82 16.46 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 121.127 0.489 . . . . 0.0 109.958 177.078 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.57 HG13 HG23 ' A' ' 23' ' ' VAL . 4.3 mp -68.86 118.55 13.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 173.118 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.578 ' SG ' HD22 ' A' ' 54' ' ' LEU . 3.6 p -102.22 152.09 21.45 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 120.992 0.425 . . . . 0.0 110.866 -176.211 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.6 p -124.2 143.48 37.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.51 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -83.7 81.39 8.77 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.289 179.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.8 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 115.47 -0.786 . . . . 0.0 112.52 -172.895 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.687 0 N-CA-C 113.562 0.185 . . . . 0.0 113.562 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 p -162.8 136.03 5.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.185 0.517 . . . . 0.0 111.89 176.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.33 153.85 37.2 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.114 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.55 ' HB2' ' HB ' ' A' ' 35' ' ' VAL . 7.8 p -148.34 155.3 41.11 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.128 0.489 . . . . 0.0 111.674 -177.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.57 HG23 HG13 ' A' ' 9' ' ' ILE . 22.5 t -112.37 131.01 65.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.033 177.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 60.4 mt -77.84 116.65 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 177.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.2 m -107.23 -31.2 2.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -144.39 147.12 33.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.831 0.348 . . . . 0.0 110.66 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.426 HG23 HG11 ' A' ' 33' ' ' VAL . 62.4 mt -116.3 114.63 46.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.507 -177.154 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.7 mp -84.22 -56.25 5.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -137.62 -165.06 1.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.989 176.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -84.15 -8.48 59.07 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -171.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -121.6 -42.91 2.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.069 -0.394 . . . . 0.0 111.136 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -101.35 120.24 39.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.363 0.601 . . . . 0.0 111.044 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.426 HG11 HG23 ' A' ' 27' ' ' ILE . 27.2 m -123.62 167.81 16.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.346 178.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 61.8 tp -97.59 116.12 29.18 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 177.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.55 ' HB ' ' HB2' ' A' ' 22' ' ' CYS . 26.9 m -120.13 149.77 22.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.018 -178.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.0 t -157.74 171.47 20.25 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.382 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.591 ' HA3' ' HB ' ' A' ' 44' ' ' VAL . . . -125.74 162.39 19.98 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.413 -0.898 . . . . 0.0 111.28 175.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -66.2 143.59 71.67 Favored 'Trans proline' 0 C--O 1.237 0.466 0 C-N-CA 122.453 2.102 . . . . 0.0 111.751 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.45 -166.02 1.39 Allowed 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 176.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 67.37 -57.43 0.44 Allowed 'General case' 0 C--N 1.321 -0.671 0 O-C-N 124.115 0.884 . . . . 0.0 111.273 -178.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 58.9 mt -88.95 -73.45 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.275 -176.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.6 m -90.1 -50.3 6.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.797 0.332 . . . . 0.0 111.23 -175.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.12 44.49 11.61 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.899 177.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.591 ' HB ' ' HA3' ' A' ' 37' ' ' GLY . 39.6 t -78.22 118.09 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 177.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.48 139.33 42.16 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.191 -178.102 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.0 ptt180 -72.29 149.24 44.66 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.389 0.614 . . . . 0.0 112.217 -172.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -158.23 150.93 22.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.203 -178.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 -92.94 109.82 21.27 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 173.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.7 t -122.53 157.92 27.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.205 -175.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -85.14 148.73 25.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.066 177.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 36.7 pt -84.67 8.2 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -176.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 46.2 tp -78.25 -11.0 59.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.907 0.384 . . . . 0.0 111.466 -175.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.412 ' C ' HD13 ' A' ' 54' ' ' LEU . 40.3 m170 -121.76 14.32 10.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.719 0.295 . . . . 0.0 110.989 -178.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.578 HD22 ' SG ' ' A' ' 10' ' ' CYS . 8.9 mp -118.58 128.18 54.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.041 -175.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.469 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 4.3 mm-40 -112.96 120.23 41.04 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.385 177.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 55' ' ' GLU . 6.2 Cg_exo -80.24 134.17 10.15 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 123.28 2.653 . . . . 0.0 112.129 176.132 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 45.6 p -72.18 165.61 24.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.213 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -66.56 -24.91 66.42 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.767 -178.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -65.97 150.53 48.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.472 177.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -158.68 124.89 4.58 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.002 0.429 . . . . 0.0 111.208 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 15.4 pt -104.42 116.93 49.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 170.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -79.51 105.08 10.57 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.364 -170.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 38.4 pt -125.67 -169.45 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.338 176.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -121.95 -174.51 2.9 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.092 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -84.89 130.64 34.62 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 121.104 -0.238 . . . . 0.0 110.475 -177.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 120.29 24.87 2.58 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.233 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.84 128.93 34.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.799 0.333 . . . . 0.0 110.741 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.484 ' O ' HG22 ' A' ' 72' ' ' VAL . 22.3 p -94.73 169.59 10.05 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.188 -178.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.07 -48.82 70.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.504 178.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.541 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 3.7 tp10 -59.97 -42.58 94.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.543 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -60.34 -42.82 96.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.067 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.486 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 69.7 t -61.15 -47.38 93.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.577 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.541 ' HE3' ' HA ' ' A' ' 70' ' ' GLU . 37.8 mtmt -59.97 -40.95 90.81 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.97 0.414 . . . . 0.0 110.796 176.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.35 -46.85 79.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.787 177.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.7 mtpp -80.17 -23.26 41.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.125 -175.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 64.8 mt -66.18 -33.59 76.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.107 0.48 . . . . 0.0 109.864 173.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -65.25 -42.33 93.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.546 177.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -61.92 -43.84 98.02 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.188 0.518 . . . . 0.0 110.648 177.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.3 m -76.82 -17.65 58.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.749 -175.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 15.9 m120 63.93 23.08 13.22 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.37 0.605 . . . . 0.0 110.212 -176.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 30.5 tp -91.9 0.01 57.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.236 -176.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.0 m -54.03 -42.94 69.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.869 -177.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.552 ' O ' ' HB2' ' A' ' 87' ' ' GLU . 50.4 mt-10 -64.72 -41.11 96.21 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.459 -178.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -74.68 -31.13 61.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.945 0.403 . . . . 0.0 110.756 -174.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.49 -38.14 49.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.115 0.483 . . . . 0.0 109.877 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -74.15 -31.9 62.92 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.83 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.552 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -77.32 -175.69 3.82 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 178.069 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.458 ' H ' ' CD ' ' A' ' 87' ' ' GLU . 24.7 tptt . . . . . 0 C--N 1.33 -0.258 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.3 mm . . . . . 0 N--CA 1.455 -0.199 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -163.68 -170.65 2.26 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.42 -176.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.511 HG12 ' HB2' ' A' ' 65' ' ' LYS . 31.7 m -68.92 139.86 19.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.204 0.526 . . . . 0.0 109.97 177.071 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.59 9.3 72.28 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.518 -0.848 . . . . 0.0 112.175 -177.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -74.09 106.49 5.79 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 58.1 mt -82.62 121.25 35.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.232 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.497 ' HA ' ' HA ' ' A' ' 56' ' ' PRO . 4.7 p -140.72 156.97 46.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.059 -176.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.6 p -117.83 147.61 21.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.33 178.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.654 ' HZ2' ' HB ' ' A' ' 49' ' ' VAL . 47.1 tptt -72.97 125.14 26.9 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.18 -179.348 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.1 p . . . . . 0 N--CA 1.45 -0.428 0 CA-C-O 123.016 1.388 . . . . 0.0 109.803 -177.885 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.423 0 N-CA-C 111.771 -0.532 . . . . 0.0 111.771 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.5 m -77.25 105.37 8.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.735 0.302 . . . . 0.0 110.301 178.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.582 ' HE2' ' O ' ' A' ' 84' ' ' TYR . 30.7 mttp -101.7 133.01 47.08 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.741 -177.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.544 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 58.4 m -141.01 148.56 40.47 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.44 -178.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.447 HG13 HD11 ' A' ' 61' ' ' ILE . 60.1 t -123.71 137.06 58.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.17 -178.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.4 mt -67.52 108.86 1.33 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.356 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 176.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.467 HG23 HG23 ' A' ' 36' ' ' THR . 57.5 t -109.53 -36.46 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.805 0.336 . . . . 0.0 111.02 -179.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.524 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 20.5 t0 -139.82 143.34 36.77 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.46 179.288 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 70.0 mt -113.74 115.66 50.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.028 0.442 . . . . 0.0 110.483 -177.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.427 HD12 ' N ' ' A' ' 28' ' ' ILE . 3.7 mp -96.81 -63.89 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.964 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -107.56 -159.1 0.68 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -179.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -80.06 -57.43 3.63 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.024 0.44 . . . . 0.0 110.738 -178.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.557 HD22 ' HB2' ' A' ' 52' ' ' LEU . 24.0 t-20 -94.93 -34.12 12.52 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-O 121.282 0.563 . . . . 0.0 109.854 179.067 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -84.63 104.29 14.49 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.76 -176.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.1 m -119.29 170.84 8.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.729 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.524 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . 56.2 tp -100.23 115.83 30.8 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 178.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.544 ' HB ' ' HB3' ' A' ' 22' ' ' CYS . 35.2 m -112.54 150.76 14.64 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.891 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 176.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.467 HG23 HG23 ' A' ' 25' ' ' VAL . 14.8 t -151.18 144.86 25.03 Favored 'General case' 0 C--N 1.312 -1.023 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.787 179.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.493 ' HA3' ' HB ' ' A' ' 44' ' ' VAL . . . -112.45 146.8 18.25 Favored Glycine 0 N--CA 1.441 -1.0 0 N-CA-C 109.866 -1.293 . . . . 0.0 109.866 171.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -49.02 122.65 8.68 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.959 2.439 . . . . 0.0 112.608 -175.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.0 ptmm? -71.22 -21.27 62.16 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.035 0.445 . . . . 0.0 110.647 -176.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -84.72 -33.88 23.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.665 -178.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.4 mt -130.26 107.52 14.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.127 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.532 ' OG1' ' HA ' ' A' ' 86' ' ' LYS . 7.9 m 71.7 86.06 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 O-C-N 123.862 0.726 . . . . 0.0 110.196 -175.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.21 77.24 0.58 Allowed Glycine 0 N--CA 1.453 -0.196 0 CA-C-N 115.652 -0.704 . . . . 0.0 113.708 -172.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.493 ' HB ' ' HA3' ' A' ' 37' ' ' GLY . 42.9 t -82.73 -23.96 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.096 0.474 . . . . 0.0 109.906 174.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 36' ' ' THR . 95.5 mttt 66.72 -161.93 0.24 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.371 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 46' ' ' ARG . 16.3 ptt180 -122.87 135.22 54.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.29 -179.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -169.51 161.22 9.56 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -95.65 123.91 39.43 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 176.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.654 ' HB ' ' HZ2' ' A' ' 12' ' ' LYS . 16.1 m -139.26 22.85 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 111.546 0.202 . . . . 0.0 111.546 -175.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.503 ' HB2' ' OD1' ' A' ' 31' ' ' ASN . 8.1 p30 52.51 175.14 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.784 1.234 . . . . 0.0 112.577 -174.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 11.5 pt -119.23 -11.99 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 N-CA-C 112.354 0.502 . . . . 0.0 112.354 -177.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.557 ' HB2' HD22 ' A' ' 31' ' ' ASN . 3.5 tt -67.57 -45.53 75.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.978 0.418 . . . . 0.0 110.217 -176.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.401 ' C ' HD12 ' A' ' 54' ' ' LEU . 40.3 m-70 -94.34 26.74 3.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.161 0.505 . . . . 0.0 111.335 -177.385 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.484 HD11 ' O ' ' A' ' 50' ' ' ASN . 8.1 mp -124.79 136.89 54.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.443 -0.799 . . . . 0.0 108.9 170.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -109.96 128.99 24.43 Favored Pre-proline 0 C--N 1.318 -0.801 0 CA-C-O 120.833 0.349 . . . . 0.0 110.266 -176.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.497 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 87.7 Cg_endo -80.65 160.08 21.94 Favored 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 122.969 2.446 . . . . 0.0 113.263 -174.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 59.3 p -92.95 178.93 5.6 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.18 175.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -79.25 -4.58 51.38 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.914 0.388 . . . . 0.0 110.808 178.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -106.69 149.1 27.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.179 0.514 . . . . 0.0 111.176 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.1 ttpp -141.23 154.11 45.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.167 -0.924 . . . . 0.0 108.809 176.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.447 HD11 HG13 ' A' ' 23' ' ' VAL . 21.2 pt -116.66 157.53 17.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 174.25 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.91 46.6 1.12 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.177 0.513 . . . . 0.0 110.638 -174.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.7 pp -73.38 175.51 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.226 178.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -96.88 146.99 24.42 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.417 -176.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.511 ' HB2' HG12 ' A' ' 6' ' ' VAL . 7.7 ttpm? -65.65 112.95 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 177.181 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.23 37.77 5.85 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.23 -177.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.2 163.21 23.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.722 0.296 . . . . 0.0 110.466 176.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.427 ' O ' HG23 ' A' ' 72' ' ' VAL . 48.1 p -95.77 166.97 11.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.162 -178.339 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.449 ' O ' ' HG3' ' A' ' 73' ' ' LYS . 10.8 t70 -56.66 -35.07 67.98 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.739 176.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.468 ' HA ' ' NZ ' ' A' ' 73' ' ' LYS . 3.7 tp10 -64.69 -51.05 64.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.103 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.588 ' HA ' ' HD3' ' A' ' 74' ' ' LYS . 31.7 tp10 -59.4 -42.71 92.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.422 -178.018 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 68' ' ' SER . 97.7 t -60.8 -45.05 98.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.428 -179.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.468 ' NZ ' ' HA ' ' A' ' 70' ' ' GLU . 34.0 mtmm -65.89 -37.29 85.73 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 120.543 0.211 . . . . 0.0 111.263 -178.09 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.588 ' HD3' ' HA ' ' A' ' 71' ' ' GLU . 45.0 mtpt -60.29 -56.78 17.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.583 0.706 . . . . 0.0 110.284 177.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -62.75 -32.13 73.21 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.909 -1.042 . . . . 0.0 111.604 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 41.2 tp -65.68 -41.2 92.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.896 0.379 . . . . 0.0 110.158 176.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.66 -40.51 92.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.062 179.053 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -59.79 -36.74 77.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.502 178.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.1 m -87.7 -10.51 50.97 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.754 0.311 . . . . 0.0 111.234 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 63.35 24.8 14.37 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.809 0.814 . . . . 0.0 110.375 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.6 tp -90.47 8.77 32.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.481 -175.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.6 m -55.81 -39.95 72.06 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.529 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -57.66 -51.88 67.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.132 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.582 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 13.4 t80 -67.12 -29.96 69.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.152 -172.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 19.7 mmt -72.32 -39.94 67.84 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 120.898 0.38 . . . . 0.0 111.188 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.532 ' HA ' ' OG1' ' A' ' 42' ' ' THR . 88.9 tttt -76.49 -58.31 3.35 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.594 -175.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -101.61 130.05 47.86 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.105 0.479 . . . . 0.0 111.419 -170.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.07 177.187 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 39.9 mm . . . . . 0 CA--C 1.533 0.318 0 CA-C-O 121.84 0.828 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.413 ' HG2' ' H ' ' A' ' 6' ' ' VAL . 13.2 tt0 -176.37 -167.33 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 177.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.556 HG13 ' HA ' ' A' ' 25' ' ' VAL . 33.8 m -69.67 148.3 11.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.214 0.531 . . . . 0.0 111.596 -177.31 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.545 ' O ' ' HB2' ' A' ' 60' ' ' LYS . . . 94.7 -33.43 5.35 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.78 -0.724 . . . . 0.0 113.413 173.182 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.424 HH21 ' HA ' ' A' ' 58' ' ' ASP . 6.2 tpt180 -84.16 113.82 21.34 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.854 0.327 . . . . 0.0 110.599 -176.08 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.684 HG12 ' HA ' ' A' ' 60' ' ' LYS . 51.1 mm -71.7 125.81 30.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.32 -179.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 56.5 m -123.59 146.71 47.95 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.202 -177.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.4 p -112.35 141.03 29.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.061 0.458 . . . . 0.0 110.999 -177.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.942 ' HD3' ' HB2' ' A' ' 20' ' ' SER . 50.6 mtpt -70.24 125.68 27.48 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.343 178.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.458 HG23 ' HA ' ' A' ' 54' ' ' LEU . 14.9 m . . . . . 0 C--N 1.324 -0.53 0 CA-C-O 121.498 0.666 . . . . 0.0 111.745 -174.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.434 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.942 ' HB2' ' HD3' ' A' ' 12' ' ' LYS . 5.9 m -130.35 113.66 14.63 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 178.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.643 ' HZ1' ' HB3' ' A' ' 87' ' ' GLU . 8.9 mptt -102.62 138.66 39.23 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 175.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 83.4 m -140.77 159.95 41.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.731 0.3 . . . . 0.0 110.652 -176.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.3 t -120.0 140.57 43.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.345 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 59.0 mt -93.18 131.45 40.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 175.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.556 ' HA ' HG13 ' A' ' 6' ' ' VAL . 11.8 m -122.08 -37.4 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -177.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.472 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 43.3 t0 -127.1 126.8 43.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.171 0.51 . . . . 0.0 110.751 -176.173 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.6 mm -95.06 102.28 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.542 -178.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 41.0 mm -79.86 -43.8 22.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.434 0.635 . . . . 0.0 110.316 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.551 ' CG ' ' H ' ' A' ' 30' ' ' ASP . 28.7 t70 -150.94 -172.18 4.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.202 -0.908 . . . . 0.0 108.885 -178.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.551 ' H ' ' CG ' ' A' ' 29' ' ' ASP . 4.3 m-20 -88.24 -19.83 26.3 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 120.923 0.392 . . . . 0.0 110.232 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -106.04 -32.69 8.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.561 175.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.411 ' HA ' ' HA ' ' A' ' 50' ' ' ASN . 97.1 m-85 -110.02 134.18 52.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.027 -177.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.8 m -136.9 173.95 12.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.735 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.472 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . 5.9 tt -109.92 115.47 29.86 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 173.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 30.8 m -106.82 149.5 10.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.668 -178.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.2 t -125.91 138.93 53.81 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.584 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.542 ' HA3' ' HB ' ' A' ' 44' ' ' VAL . . . -107.78 160.28 14.03 Favored Glycine 0 N--CA 1.441 -0.974 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 175.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.746 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 50.9 Cg_endo -72.4 95.91 0.79 Allowed 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 122.436 2.091 . . . . 0.0 112.387 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.501 ' O ' ' HE3' ' A' ' 73' ' ' LYS . 14.8 tmtt? -75.9 144.31 41.21 Favored 'General case' 0 N--CA 1.436 -1.159 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 177.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.491 ' HB2' ' O ' ' A' ' 39' ' ' LYS . 17.4 m-20 77.42 -27.66 0.17 Allowed 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.559 -1.201 . . . . 0.0 111.305 -173.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.746 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 75.3 mt -82.92 -59.77 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.745 0.307 . . . . 0.0 110.227 177.317 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.488 ' HG1' ' HG2' ' A' ' 38' ' ' PRO . 23.5 p -111.92 -54.71 2.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.995 0.426 . . . . 0.0 110.35 175.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.71 14.31 4.8 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.55 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.542 ' HB ' ' HA3' ' A' ' 37' ' ' GLY . 60.9 t -66.32 126.05 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.759 0.314 . . . . 0.0 110.801 178.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -78.24 158.14 29.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.065 -177.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 -125.65 132.71 52.4 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.543 -171.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.73 -178.89 2.34 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.174 175.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -80.02 131.74 35.85 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.712 0.291 . . . . 0.0 110.726 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.9 p -157.56 172.09 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 -177.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.411 ' HA ' ' HA ' ' A' ' 32' ' ' PHE . 26.4 p-10 -72.11 -177.04 1.94 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.837 0.351 . . . . 0.0 111.02 179.062 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.441 ' O ' HD22 ' A' ' 54' ' ' LEU . 23.5 pt -58.99 -22.03 20.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -177.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 43.5 tp 72.4 -11.32 0.83 Allowed 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 172.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 67.77 83.0 0.17 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.757 0.789 . . . . 0.0 110.206 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.458 ' HA ' HG23 ' A' ' 13' ' ' VAL . 1.4 pt? -137.19 164.55 28.22 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.179 -178.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.465 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 43.7 mt-10 -125.5 134.76 26.12 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.791 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 55' ' ' GLU . 6.7 Cg_exo -73.21 142.98 34.81 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.879 2.386 . . . . 0.0 112.411 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 40.6 p -99.89 177.24 5.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.64 176.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.424 ' HA ' HH21 ' A' ' 8' ' ' ARG . 0.6 OUTLIER -80.3 -38.85 29.93 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.908 -179.472 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -75.99 134.28 40.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.25 0.547 . . . . 0.0 109.878 178.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.684 ' HA ' HG12 ' A' ' 9' ' ' ILE . 17.6 pttp -148.33 -167.75 2.9 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.861 -176.233 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.2 pt -120.17 -170.39 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 175.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.464 ' HB3' ' HE2' ' A' ' 75' ' ' LYS . 25.0 t70 -141.04 94.87 2.76 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -177.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.9 pt -136.45 175.61 9.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.163 -174.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -94.73 145.27 24.98 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.778 177.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.534 ' HA ' HG11 ' A' ' 6' ' ' VAL . 33.5 ttpt -69.18 112.06 5.53 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.128 0.49 . . . . 0.0 110.499 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 114.75 1.73 22.72 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.843 -175.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.75 145.11 35.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.976 0.417 . . . . 0.0 111.861 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.1 m -92.03 175.76 6.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.918 -179.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -56.82 -40.51 76.13 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.189 -0.46 . . . . 0.0 112.146 -175.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 0.8 OUTLIER -56.52 -49.47 74.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.122 0.487 . . . . 0.0 110.094 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -66.39 -40.97 90.0 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.905 -178.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.534 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 93.1 t -62.28 -48.59 87.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.325 177.011 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.501 ' HE3' ' O ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -55.69 -45.17 77.86 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.708 -178.802 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 70' ' ' GLU . 32.7 mmtp -62.62 -47.04 85.47 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.465 -179.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.464 ' HE2' ' HB3' ' A' ' 62' ' ' ASP . 30.7 tptt -67.06 -33.73 76.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.95 -177.135 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 88.6 mt -60.89 -41.9 96.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.969 174.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -67.96 -46.39 71.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.711 178.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -53.76 -45.17 70.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.412 178.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.1 m -81.65 -7.61 59.61 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.343 -177.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.5 t30 60.55 26.48 16.14 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.773 0.797 . . . . 0.0 109.339 -175.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.529 HD21 HG13 ' A' ' 9' ' ' ILE . 43.7 tp -74.75 -19.31 60.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.2 -176.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.9 m -51.95 -35.14 45.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.177 178.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -61.29 -51.49 68.66 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.396 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.466 ' CZ ' ' HE2' ' A' ' 21' ' ' LYS . 53.9 t80 -78.28 -32.52 49.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.935 -179.143 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.529 ' HE2' ' HD3' ' A' ' 38' ' ' PRO . 12.6 ttt -72.7 -22.82 60.83 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.659 0.266 . . . . 0.0 111.347 -174.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -85.7 0.31 53.1 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.289 0.566 . . . . 0.0 110.205 178.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.643 ' HB3' ' HZ1' ' A' ' 21' ' ' LYS . 29.0 tt0 -64.99 111.37 2.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.288 0.566 . . . . 0.0 110.085 177.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 50.4 pttt . . . . . 0 C--N 1.319 -0.752 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.748 -171.326 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.461 HG13 HD11 ' A' ' 51' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.446 -0.656 0 CA-C-O 121.014 0.435 . . . . 0.0 110.953 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.5 ' HA ' HD11 ' A' ' 27' ' ' ILE . 26.4 tt0 -154.09 175.4 13.48 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 177.288 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.567 HG22 ' HA ' ' A' ' 65' ' ' LYS . 7.9 p -56.65 133.01 21.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.237 0.541 . . . . 0.0 111.369 -179.074 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.09 -4.52 67.78 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.483 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.536 ' HB3' HD12 ' A' ' 24' ' ' ILE . 24.1 tpt85 -79.56 101.21 8.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.838 0.351 . . . . 0.0 110.548 -178.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.593 HG12 HG23 ' A' ' 23' ' ' VAL . 58.6 mt -69.12 128.7 33.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.009 176.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.534 ' HA ' ' HA ' ' A' ' 56' ' ' PRO . 39.8 m -132.63 151.22 52.01 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.031 -178.283 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.5 p -118.67 151.28 20.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.108 0.48 . . . . 0.0 110.982 -175.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 48.9 mmtm -78.67 95.35 5.25 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 174.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.5 p . . . . . 0 C--N 1.325 -0.473 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.047 -175.238 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.243 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.5 m -79.28 95.75 5.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.063 0.458 . . . . 0.0 110.328 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -105.56 137.37 43.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.289 -177.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 33.0 m -133.95 151.78 51.61 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.15 -177.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.593 HG23 HG12 ' A' ' 9' ' ' ILE . 46.5 t -110.08 130.24 63.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.517 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.536 HD12 ' HB3' ' A' ' 8' ' ' ARG . 63.0 mt -70.13 112.96 5.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.743 174.562 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.3 m -109.2 -30.17 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -177.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.543 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 18.2 t70 -139.32 118.45 12.65 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.946 0.403 . . . . 0.0 110.62 -179.136 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.5 HD11 ' HA ' ' A' ' 5' ' ' GLU . 53.4 mt -85.29 96.5 4.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.898 178.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.409 HD13 ' HB2' ' A' ' 34' ' ' LEU . 52.9 mt -74.66 -62.59 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.536 ' HB2' ' HB3' ' A' ' 32' ' ' PHE . 2.2 m-20 -125.31 -167.49 1.69 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.566 177.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -79.55 -31.77 42.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.612 0.244 . . . . 0.0 111.467 -178.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.4 ' O ' HG13 ' A' ' 51' ' ' ILE . 13.2 t-20 -117.4 -25.78 6.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.991 0.424 . . . . 0.0 110.707 177.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.536 ' HB3' ' HB2' ' A' ' 29' ' ' ASP . 25.0 t80 -89.51 120.6 30.97 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 176.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.429 HG21 ' N ' ' A' ' 34' ' ' LEU . 11.4 p -139.54 162.21 26.76 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 CA-C-O 121.34 0.591 . . . . 0.0 111.328 -172.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.543 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . 60.3 tp -109.65 116.82 32.45 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.264 177.527 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 31.2 m -121.63 151.37 25.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.041 0.448 . . . . 0.0 110.968 -177.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.3 t -148.57 166.85 27.01 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 175.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.551 ' HA3' ' HB ' ' A' ' 44' ' ' VAL . . . -139.14 116.69 1.27 Allowed Glycine 0 N--CA 1.44 -1.055 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 177.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.726 ' HG2' HD11 ' A' ' 76' ' ' LEU . 26.4 Cg_exo -30.87 111.89 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 124.345 3.363 . . . . 0.0 113.264 -176.458 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.845 ' HA ' ' HA2' ' A' ' 43' ' ' GLY . 59.9 mttp -78.88 0.79 25.84 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.069 -170.174 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.782 ' HB3' ' HD2' ' A' ' 73' ' ' LYS . 18.3 t70 -99.92 -15.98 18.15 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.7 0.762 . . . . 0.0 109.61 171.028 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.566 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 72.6 mt -102.75 -63.05 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.025 -176.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.466 HG23 HG22 ' A' ' 44' ' ' VAL . 9.5 t -115.86 -31.35 5.8 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.988 0.423 . . . . 0.0 110.739 -177.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.845 ' HA2' ' HA ' ' A' ' 39' ' ' LYS . . . 81.48 65.73 1.65 Allowed Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.725 177.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.551 ' HB ' ' HA3' ' A' ' 37' ' ' GLY . 90.0 t -111.98 119.31 59.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 175.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.685 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 24.8 mtpp -71.25 153.21 42.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.951 -178.048 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -70.38 124.29 23.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.109 0.481 . . . . 0.0 110.405 -178.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -148.75 142.41 25.5 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.076 -178.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 59.5 mtm180 -87.82 114.12 24.13 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 178.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.4 t -122.44 143.83 33.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.768 -173.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -83.78 135.09 34.67 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.933 174.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.461 HD11 HG13 ' A' ' 4' ' ' ILE . 52.2 mt -67.02 -8.98 8.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.366 0.603 . . . . 0.0 110.699 -178.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 38.9 tp -63.52 -11.94 28.2 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.379 177.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -130.83 27.39 4.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.732 0.301 . . . . 0.0 110.485 177.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 30.8 tp -137.15 126.4 24.72 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.922 -175.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -121.77 136.47 26.13 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 120.893 0.378 . . . . 0.0 110.314 178.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.534 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 90.1 Cg_endo -77.67 158.4 31.92 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.87 2.38 . . . . 0.0 113.704 -174.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.459 HG21 ' H ' ' A' ' 58' ' ' ASP . 0.9 OUTLIER -86.66 -175.4 5.41 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 175.461 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.459 ' H ' HG21 ' A' ' 57' ' ' THR . 5.4 m-20 -53.44 -74.58 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -176.198 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -105.6 167.33 9.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.297 0.57 . . . . 0.0 112.25 -172.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -112.37 141.02 46.61 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.512 -178.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.6 pt -86.37 142.79 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 176.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -93.09 93.07 8.1 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.156 0.503 . . . . 0.0 111.235 -173.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 34.8 pt -115.29 179.54 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.888 176.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -97.19 140.62 31.42 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.461 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.567 ' HA ' HG22 ' A' ' 6' ' ' VAL . 1.7 tmmt? -61.5 126.44 27.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.523 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.61 49.24 3.95 Favored Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -175.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -99.39 153.25 19.14 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.881 0.372 . . . . 0.0 111.123 -176.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.9 p -92.9 171.12 9.17 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.404 178.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.42 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 7.7 t70 -60.88 -35.57 76.96 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -63.38 -47.84 80.35 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.085 176.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -58.19 -51.08 71.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.673 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 44.6 t -62.87 -39.28 84.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.477 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.782 ' HD2' ' HB3' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -62.3 -47.11 85.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.209 179.028 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt -64.29 -42.31 96.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.203 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.75 -43.42 88.98 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.824 0.345 . . . . 0.0 110.512 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.726 HD11 ' HG2' ' A' ' 38' ' ' PRO . 21.4 mt -64.0 -33.24 75.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.373 178.328 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -76.38 -40.97 49.59 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.984 0.421 . . . . 0.0 110.081 178.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -59.41 -49.88 76.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.316 177.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.1 m -76.1 -8.34 56.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.387 178.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 62.36 21.32 12.46 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.152 177.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 30.2 tp -83.32 -7.23 59.62 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.3 t -53.66 -32.78 52.89 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.547 173.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -57.96 -51.52 69.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.487 177.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -71.6 -22.03 61.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.726 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.439 ' HE1' HG22 ' A' ' 42' ' ' THR . 11.3 tpt -71.21 -31.29 67.42 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 177.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.68 -37.56 30.55 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 120.884 0.373 . . . . 0.0 110.347 174.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.33 128.02 34.32 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.068 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.835 ' HZ1' ' HB2' ' A' ' 88' ' ' LYS . 4.1 ttmp? . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.254 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.1 mm . . . . . 0 C--O 1.233 0.213 0 CA-C-O 121.441 0.639 . . . . 0.0 110.125 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.425 ' HB3' ' HB2' ' A' ' 8' ' ' ARG . 12.2 tp10 -91.28 140.34 29.88 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.224 -174.493 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.3 m -64.35 109.92 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.626 0.727 . . . . 0.0 110.968 -178.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.97 -1.01 62.84 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.26 -0.882 . . . . 0.0 113.174 178.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.523 ' HA ' ' HA ' ' A' ' 60' ' ' LYS . 27.3 ttt180 -85.05 116.97 23.73 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 118.002 0.901 . . . . 0.0 109.938 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 64.2 mt -68.34 131.23 33.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.436 -175.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 57.0 m -120.09 157.87 28.05 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.591 -176.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.6 p -126.14 145.58 33.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 177.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.569 ' HE3' ' SG ' ' A' ' 22' ' ' CYS . 1.6 mptm? -66.74 132.66 48.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.157 -177.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.4 HG23 ' HG3' ' A' ' 55' ' ' GLU . 27.6 m . . . . . 0 C--N 1.322 -0.627 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.542 177.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.789 0 N-CA-C 112.311 -0.316 . . . . 0.0 112.311 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.3 p -158.49 145.02 17.3 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.139 0.495 . . . . 0.0 111.926 -177.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -101.17 145.04 29.32 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 171.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.569 ' SG ' ' HE3' ' A' ' 12' ' ' LYS . 63.0 m -145.47 156.33 43.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.629 0.252 . . . . 0.0 111.137 -176.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.3 p -125.21 148.14 29.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 177.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.768 HG13 HG13 ' A' ' 35' ' ' VAL . 4.2 mp -91.58 122.58 43.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.7 m -96.32 -28.45 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -177.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.506 ' OD2' ' HG2' ' A' ' 65' ' ' LYS . 14.8 t70 -155.23 138.46 15.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.912 0.387 . . . . 0.0 110.632 -179.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.445 ' HB ' ' HE2' ' A' ' 65' ' ' LYS . 43.6 mm -86.44 105.96 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.426 175.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.3 mm -76.87 -57.91 5.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.94 0.4 . . . . 0.0 110.63 -176.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -136.3 -172.32 3.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.591 -178.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -63.76 -37.22 86.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.504 179.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.432 ' O ' ' HA ' ' A' ' 50' ' ' ASN . 50.0 t30 -111.63 -30.0 7.51 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.927 -177.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -92.98 123.98 36.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.172 0.51 . . . . 0.0 111.691 -177.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.0 m -126.78 152.26 34.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.013 176.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 tt -96.8 116.11 28.58 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.768 HG13 HG13 ' A' ' 24' ' ' ILE . 35.0 m -114.79 151.6 16.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.692 -178.219 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.48 ' HB ' ' HA ' ' A' ' 46' ' ' ARG . 7.2 t -167.71 171.18 10.33 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.727 178.057 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.56 169.59 20.71 Favored Glycine 0 N--CA 1.441 -0.991 0 N-CA-C 110.029 -1.229 . . . . 0.0 110.029 172.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -67.01 95.95 0.37 Allowed 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.924 1.749 . . . . 0.0 110.883 175.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.582 ' HA ' ' O ' ' A' ' 42' ' ' THR . 3.8 ptpp? -74.84 1.98 11.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.521 0.676 . . . . 0.0 111.053 -173.104 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.505 ' HB3' ' HD3' ' A' ' 73' ' ' LYS . 38.4 t70 -91.57 -12.57 33.99 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.891 173.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.597 HG23 ' HD2' ' A' ' 86' ' ' LYS . 2.5 mp -120.48 -53.97 3.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.274 179.142 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.582 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 5.8 m -114.18 152.24 31.51 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.892 -177.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.88 52.65 4.49 Favored Glycine 0 CA--C 1.518 0.236 0 C-N-CA 120.779 -0.724 . . . . 0.0 113.124 -176.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.0 t -115.27 126.52 72.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 179.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.471 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 98.9 mttt -113.51 170.44 8.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.014 -175.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.48 ' HA ' ' HB ' ' A' ' 36' ' ' THR . 0.0 OUTLIER -84.59 136.35 33.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.292 0.568 . . . . 0.0 112.395 -171.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.8 mtt180 -153.43 149.26 27.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.126 175.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -97.81 115.56 28.28 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.06 0.457 . . . . 0.0 110.016 174.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.3 m -125.69 177.91 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.959 -175.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.432 ' HA ' ' O ' ' A' ' 31' ' ' ASN . 26.1 p-10 -96.45 152.48 18.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.319 178.207 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 12.2 pt -79.05 78.41 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.402 0.62 . . . . 0.0 111.755 -178.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 29.5 tp -164.09 35.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.761 179.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -136.78 -37.09 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -176.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.491 ' N ' HD13 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -126.22 155.07 42.4 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.214 0.53 . . . . 0.0 112.099 -173.747 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.4 ' HG3' HG23 ' A' ' 13' ' ' VAL . 38.3 mt-10 -124.56 140.97 36.56 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.707 174.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -66.47 152.59 80.51 Favored 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 122.927 2.418 . . . . 0.0 113.501 -174.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 67.7 p -92.52 -165.94 1.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.859 175.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -81.07 -21.24 40.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.81 0.338 . . . . 0.0 110.956 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -96.73 146.13 25.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.559 0.695 . . . . 0.0 112.576 -172.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 8' ' ' ARG . 16.4 ttpt -138.14 122.53 18.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.583 175.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.6 pt -88.84 111.64 22.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 172.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.446 ' HA ' ' HE3' ' A' ' 60' ' ' LYS . 18.4 t70 -66.33 102.57 0.88 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.435 -172.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.7 pt -125.75 -174.24 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.335 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -118.29 150.87 38.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.939 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.506 ' HG2' ' OD2' ' A' ' 26' ' ' ASP . 63.1 tttm -55.39 109.72 0.59 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.099 0.476 . . . . 0.0 110.596 178.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.53 50.52 0.97 Allowed Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 111.623 -0.591 . . . . 0.0 111.623 -177.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.71 -174.75 2.98 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.744 0.307 . . . . 0.0 110.686 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.1 m -150.63 179.33 8.27 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.54 ' OD2' ' HG2' ' A' ' 39' ' ' LYS . 2.6 m-20 -52.79 -41.17 63.87 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -175.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -56.86 -52.09 66.49 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 120.906 0.384 . . . . 0.0 110.583 -178.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -58.28 -47.1 84.71 Favored 'General case' 0 N--CA 1.439 -0.975 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.654 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 89.9 t -55.69 -50.9 64.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.479 178.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.53 ' HG3' ' O ' ' A' ' 69' ' ' ASP . 40.7 mtmt -64.44 -39.38 93.72 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.174 0.512 . . . . 0.0 110.283 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -56.19 -46.1 79.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.488 178.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -77.71 -31.98 52.67 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.232 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 32.8 tp -66.19 -38.77 88.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.454 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -62.02 -47.82 83.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.715 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -59.04 -45.7 90.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.997 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.3 m -76.32 -21.54 56.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.831 -176.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 55.81 58.25 4.6 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.983 0.897 . . . . 0.0 109.636 -174.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.54 ' O ' HD12 ' A' ' 81' ' ' LEU . 0.9 OUTLIER -114.28 8.2 16.68 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.152 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 m -55.08 -45.95 75.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.662 -1.154 . . . . 0.0 112.299 -174.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -67.47 -36.16 80.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.797 0.332 . . . . 0.0 111.642 -176.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -77.35 -28.31 52.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.056 0.455 . . . . 0.0 110.718 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.32 -41.24 28.43 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.907 0.384 . . . . 0.0 110.027 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.597 ' HD2' HG23 ' A' ' 41' ' ' ILE . 82.5 tttt -73.65 -6.54 47.35 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.494 0.664 . . . . 0.0 110.523 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -66.09 118.06 9.31 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.684 176.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 63.2 pttt . . . . . 0 C--N 1.317 -0.825 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.482 178.649 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.4 mm . . . . . 0 C--O 1.234 0.266 0 CA-C-O 121.634 0.73 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.415 ' CG ' ' HB2' ' A' ' 8' ' ' ARG . 15.5 pt-20 -143.98 164.0 31.85 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.907 -175.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.452 ' HA ' ' O ' ' A' ' 24' ' ' ILE . 17.4 m -73.61 126.65 34.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.154 0.502 . . . . 0.0 110.352 177.228 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.455 ' HA3' HG12 ' A' ' 63' ' ' ILE . . . 98.7 -4.52 59.61 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.637 -0.792 . . . . 0.0 113.067 178.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.415 ' HB2' ' CG ' ' A' ' 5' ' ' GLU . 13.0 ttt180 -97.13 111.18 23.53 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.236 -0.586 . . . . 0.0 109.884 178.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.662 HG13 HG23 ' A' ' 23' ' ' VAL . 3.7 mp -68.55 110.15 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.331 -178.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 55.5 m -103.39 141.25 36.28 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 -178.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.508 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 5.6 p -149.19 136.72 13.79 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.419 -176.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.508 ' HG3' ' O ' ' A' ' 11' ' ' VAL . 0.1 OUTLIER 50.99 174.58 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 125.058 1.343 . . . . 0.0 114.527 176.775 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 47.0 t . . . . . 0 C--N 1.323 -0.551 0 CA-C-N 114.905 -1.043 . . . . 0.0 108.326 172.608 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.176 0 N-CA-C 111.557 -0.617 . . . . 0.0 111.557 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.7 m -118.36 141.89 48.08 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 -175.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.625 ' HD2' ' SD ' ' A' ' 85' ' ' MET . 35.1 mttp -92.33 141.85 28.09 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.152 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.523 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 32.2 m -133.64 143.11 48.39 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.174 0.512 . . . . 0.0 110.079 176.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.662 HG23 HG13 ' A' ' 9' ' ' ILE . 42.1 t -108.08 121.29 60.85 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.311 -179.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.452 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 61.4 mt -74.95 104.49 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 174.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.9 m -101.71 -22.16 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.732 -175.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.575 ' HA ' ' HG3' ' A' ' 65' ' ' LYS . 2.8 t0 -147.85 162.29 39.55 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 -178.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.1 mm -121.58 111.75 32.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.286 -176.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.554 HG21 ' HD3' ' A' ' 48' ' ' ARG . 38.2 mm -90.5 -53.89 8.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.072 0.463 . . . . 0.0 109.975 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.461 ' HB2' ' H ' ' A' ' 32' ' ' PHE . 15.2 m-20 -128.75 -176.52 3.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.213 176.289 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -85.73 -3.26 58.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.538 0.685 . . . . 0.0 109.481 175.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -118.66 -50.07 2.43 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.02 176.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.515 ' HB3' ' HB3' ' A' ' 48' ' ' ARG . 92.5 m-85 -88.88 106.66 18.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.825 179.463 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.7 m -102.16 158.74 4.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.01 176.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 tt -94.39 114.4 26.43 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.523 ' HB ' ' HB3' ' A' ' 22' ' ' CYS . 29.5 m -114.29 146.98 18.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.403 -179.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.4 t -149.92 153.74 37.15 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.107 177.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.41 137.16 11.57 Favored Glycine 0 N--CA 1.441 -1.015 0 N-CA-C 110.416 -1.074 . . . . 0.0 110.416 174.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.802 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 99.2 Cg_exo -43.99 123.66 4.25 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 123.212 2.608 . . . . 0.0 111.976 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -46.68 -50.15 18.23 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -170.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -92.72 -31.62 15.01 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.875 0.369 . . . . 0.0 111.497 -175.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.802 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 68.6 mt -79.13 -40.89 22.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.833 -174.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.5 m -124.41 -45.95 1.92 Allowed 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.951 -0.3 . . . . 0.0 111.377 -175.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.12 61.03 3.88 Favored Glycine 0 CA--C 1.521 0.446 0 C-N-CA 121.05 -0.595 . . . . 0.0 113.054 178.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.7 t -111.2 128.21 67.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 122.618 -0.343 . . . . 0.0 110.496 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -66.55 142.8 57.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.261 -179.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.558 ' HD2' ' N ' ' A' ' 46' ' ' ARG . 1.5 mpt_? -99.04 133.4 43.37 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.758 0.313 . . . . 0.0 111.052 -173.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -169.99 169.41 8.13 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 177.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.554 ' HD3' HG21 ' A' ' 28' ' ' ILE . 74.6 mtt180 -78.85 106.27 10.75 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 177.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.8 t -112.15 144.82 19.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 120.847 0.356 . . . . 0.0 110.867 -173.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.432 ' C ' ' H ' ' A' ' 52' ' ' LEU . 38.3 m-80 -64.16 146.13 54.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.654 178.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.2 pt -73.53 16.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.948 178.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.432 ' H ' ' C ' ' A' ' 50' ' ' ASN . 35.7 tp -112.94 5.44 17.3 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.219 0.533 . . . . 0.0 110.126 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 36.3 t60 -92.86 -16.64 25.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.735 -177.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -153.33 159.13 42.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.181 -179.078 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 46.0 mt-10 -116.32 148.45 41.68 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.417 179.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 55' ' ' GLU . 16.8 Cg_exo -66.31 138.94 52.88 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.822 2.348 . . . . 0.0 111.918 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 64.2 p -92.69 -172.57 3.08 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.248 0.547 . . . . 0.0 111.882 -176.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -76.43 -22.86 54.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.88 -177.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 50.4 mttm -125.67 151.75 46.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.121 0.486 . . . . 0.0 111.505 -171.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.408 ' HB3' ' HG3' ' A' ' 8' ' ' ARG . 18.1 ptmt -139.59 153.62 47.42 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.195 178.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.4 ' O ' HG13 ' A' ' 61' ' ' ILE . 35.1 pt -107.52 113.16 42.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 168.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -71.12 99.7 1.9 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.404 0.621 . . . . 0.0 111.397 -171.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.455 HG12 ' HA3' ' A' ' 7' ' ' GLY . 37.1 pt -123.8 -171.09 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.828 177.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -112.39 169.35 8.94 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.708 177.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.575 ' HG3' ' HA ' ' A' ' 26' ' ' ASP . 28.3 ttpp -73.05 127.25 32.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.142 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.03 24.25 7.73 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.633 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.11 143.39 32.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.769 0.319 . . . . 0.0 110.711 177.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.426 ' O ' HG22 ' A' ' 72' ' ' VAL . 46.2 p -103.65 172.75 6.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.294 -177.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.521 ' OD2' ' HA ' ' A' ' 38' ' ' PRO . 15.9 t70 -53.75 -32.89 53.94 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.548 177.431 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -58.65 -51.82 68.32 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.398 -178.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -71.31 -34.33 70.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.309 -177.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 68' ' ' SER . 85.0 t -58.56 -40.8 80.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.271 177.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.739 ' HE3' ' HB3' ' A' ' 38' ' ' PRO . 1.5 mptm? -64.63 -34.43 78.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.309 178.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.471 ' O ' ' HG3' ' A' ' 78' ' ' GLU . 4.5 tmtt? -77.54 -43.48 31.79 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.814 0.34 . . . . 0.0 110.575 -177.3 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.497 ' HE2' ' HB2' ' A' ' 75' ' ' LYS . 18.3 ttmm -78.93 -24.25 44.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.319 -175.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 22.3 tp -63.79 -37.49 87.56 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 173.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.464 ' HB3' ' O ' ' A' ' 74' ' ' LYS . 28.6 tt0 -60.51 -51.49 69.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.529 173.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 41.9 mt-10 -56.92 -41.3 77.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.29 -178.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.9 m -79.41 -11.49 59.91 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.523 -178.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 57.74 45.74 18.33 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.664 0.745 . . . . 0.0 109.84 -178.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 22.4 tp -119.14 11.53 12.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.027 -176.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.4 m -54.48 -54.24 43.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.006 -0.997 . . . . 0.0 112.449 -173.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -66.67 -43.69 83.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.188 0.518 . . . . 0.0 110.976 -175.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -61.09 -31.86 71.53 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.725 -177.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.625 ' SD ' ' HD2' ' A' ' 21' ' ' LYS . 14.0 tpt -75.1 -36.63 61.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.779 179.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -62.22 -42.86 99.69 Favored 'General case' 0 C--O 1.236 0.363 0 O-C-N 123.493 0.496 . . . . 0.0 110.9 -179.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -63.06 131.67 49.35 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.995 -178.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 53.6 mttp . . . . . 0 C--N 1.323 -0.576 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.303 -179.808 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.471 HD11 HD11 ' A' ' 51' ' ' ILE . 97.5 mt . . . . . 0 CA--C 1.529 0.146 0 CA-C-O 121.269 0.556 . . . . 0.0 110.611 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -152.71 168.31 26.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.202 -173.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.477 HG13 ' HA ' ' A' ' 65' ' ' LYS . 16.2 m -69.15 137.38 24.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.045 0.45 . . . . 0.0 111.218 -179.219 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.65 -13.13 59.39 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.659 -0.701 . . . . 0.0 112.822 177.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -86.3 136.15 33.26 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.911 0.386 . . . . 0.0 110.003 -177.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.569 HG12 HG22 ' A' ' 23' ' ' VAL . 63.8 mt -79.92 129.34 37.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.962 -176.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.416 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 2.2 p -112.58 133.17 54.76 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.095 0.474 . . . . 0.0 110.105 175.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.5 p -101.45 143.63 14.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.366 -178.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -75.49 103.25 5.54 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.774 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.5 m . . . . . 0 C--N 1.327 -0.389 0 CA-C-O 121.02 0.438 . . . . 0.0 111.027 -178.662 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.628 0 N-CA-C 111.742 -0.543 . . . . 0.0 111.742 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.6 t -94.43 136.01 35.21 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -177.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -119.33 148.95 42.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.006 0.432 . . . . 0.0 111.537 -174.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.6 p -153.6 155.66 36.53 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.029 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.569 HG22 HG12 ' A' ' 9' ' ' ILE . 46.0 t -111.48 134.53 53.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.394 0.14 . . . . 0.0 110.644 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.6 mt -77.16 96.93 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 174.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.532 ' HB ' ' HB1' ' A' ' 67' ' ' ALA . 29.9 m -96.53 -29.87 3.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.899 -173.083 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.538 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 16.9 t0 -140.9 128.5 21.44 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.123 0.487 . . . . 0.0 110.779 -175.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.8 mt -113.34 108.44 25.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.581 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.0 mp -89.84 -59.81 2.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 -177.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.692 ' HB2' ' HB2' ' A' ' 32' ' ' PHE . 3.0 m-20 -107.81 -172.72 2.12 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.513 177.544 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -77.15 -32.64 56.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.922 0.391 . . . . 0.0 110.676 -176.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -112.38 -31.12 6.93 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.059 177.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.692 ' HB2' ' HB2' ' A' ' 29' ' ' ASP . 96.0 m-85 -80.57 103.78 10.65 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.987 0.423 . . . . 0.0 110.286 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.2 m -125.3 153.49 32.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.946 -176.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.538 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . 50.5 tp -98.08 116.17 29.74 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.202 178.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.53 ' O ' ' HB3' ' A' ' 46' ' ' ARG . 35.6 m -116.99 147.67 20.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.198 176.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.456 ' HA ' ' HB3' ' A' ' 46' ' ' ARG . 12.1 t -166.44 168.48 14.8 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -179.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -107.76 -165.54 21.61 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 174.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -74.63 153.12 43.51 Favored 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 122.772 2.314 . . . . 0.0 112.248 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.424 ' O ' ' HB3' ' A' ' 40' ' ' ASP . 5.2 ttpm? -90.92 129.54 36.94 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.424 ' HB3' ' O ' ' A' ' 39' ' ' LYS . 25.1 t70 76.05 -54.19 0.61 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.535 -1.212 . . . . 0.0 110.686 -177.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 62.0 mt -69.07 117.17 11.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 172.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.41 HG23 HG21 ' A' ' 44' ' ' VAL . 26.2 m 72.87 -51.12 0.71 Allowed 'General case' 0 CA--C 1.536 0.413 0 O-C-N 123.725 0.641 . . . . 0.0 110.21 -173.134 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.92 56.1 2.98 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 121.258 -0.496 . . . . 0.0 112.947 173.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.41 HG21 HG23 ' A' ' 42' ' ' THR . 49.7 t -131.64 92.06 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.745 0.307 . . . . 0.0 110.934 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.407 ' HA ' ' OG1' ' A' ' 36' ' ' THR . 64.9 tttp -94.69 106.82 18.82 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 174.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.53 ' HB3' ' O ' ' A' ' 35' ' ' VAL . 16.1 tpt180 -102.96 149.18 24.78 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.518 -175.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -87.59 176.86 7.25 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.656 178.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 48' ' ' ARG . 5.5 ptp180 -68.49 126.68 30.4 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 170.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.53 HG13 ' HE ' ' A' ' 46' ' ' ARG . 17.9 m -128.72 2.79 2.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 112.816 0.672 . . . . 0.0 112.816 -169.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.9 t30 69.22 150.93 0.08 Allowed 'General case' 0 CA--C 1.537 0.472 0 O-C-N 123.805 0.691 . . . . 0.0 110.816 -178.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.471 HD11 HD11 ' A' ' 4' ' ' ILE . 60.3 mt -77.43 85.32 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.327 0.584 . . . . 0.0 110.398 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.8 mt -105.21 -74.01 0.66 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.292 177.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -118.95 51.27 1.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.751 0.31 . . . . 0.0 110.876 -175.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.416 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 96.0 mt -128.24 126.86 41.74 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.486 -179.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -112.27 133.85 21.65 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.561 176.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -69.23 133.12 25.73 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.556 2.171 . . . . 0.0 111.524 175.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 62.7 p -97.75 -179.31 4.4 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.374 -177.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -64.69 -27.5 68.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.567 177.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.505 ' HD2' ' N ' ' A' ' 59' ' ' LYS . 3.7 mptp? -87.96 135.49 33.38 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.568 0.699 . . . . 0.0 111.072 -174.161 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -153.21 130.74 11.44 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.194 -177.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 31.1 pt -90.69 128.15 42.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 172.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -72.81 107.8 5.43 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.101 0.477 . . . . 0.0 109.862 -177.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.649 HD13 ' HG2' ' A' ' 71' ' ' GLU . 15.8 tt -149.6 169.65 2.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.843 -174.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -94.96 172.39 8.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.037 0.446 . . . . 0.0 111.54 -177.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.477 ' HA ' HG13 ' A' ' 6' ' ' VAL . 33.9 ttpt -75.34 126.22 30.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.304 -176.268 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.14 53.98 2.69 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.504 178.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.532 ' HB1' ' HB ' ' A' ' 25' ' ' VAL . . . -71.12 150.85 45.05 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.267 0.556 . . . . 0.0 111.875 -175.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.49 ' O ' HG22 ' A' ' 72' ' ' VAL . 5.9 p -107.04 160.26 15.68 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.208 178.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -48.92 -52.2 25.94 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.473 0.483 . . . . 0.0 111.624 -176.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -62.3 -40.72 97.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.584 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.649 ' HG2' HD13 ' A' ' 63' ' ' ILE . 41.8 tt0 -66.25 -39.88 89.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.742 -178.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 68' ' ' SER . 88.3 t -61.52 -43.58 97.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.03 0.443 . . . . 0.0 110.084 176.318 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.703 ' HB3' ' HZ1' ' A' ' 73' ' ' LYS . 5.5 ttpm? -61.63 -37.07 82.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.365 178.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.41 ' O ' ' HB3' ' A' ' 77' ' ' GLU . 45.8 tttm -66.75 -46.7 74.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.905 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -66.33 -29.21 69.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.053 178.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 44.0 tp -64.15 -35.27 80.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.709 174.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.41 ' HB3' ' O ' ' A' ' 74' ' ' LYS . 37.9 tt0 -70.35 -51.64 28.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.599 175.216 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -52.65 -40.59 62.97 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.735 -178.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.3 m -89.96 -16.24 30.31 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.244 -178.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.7 t30 47.06 68.03 0.7 Allowed 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.811 0.815 . . . . 0.0 109.782 -170.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.454 ' HG ' ' HB3' ' A' ' 84' ' ' TYR . 15.2 tp -115.13 18.66 16.15 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.113 -0.948 . . . . 0.0 110.037 -174.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.1 m -57.12 -53.29 59.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.899 -175.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.52 -32.02 73.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.78 -177.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.454 ' HB3' ' HG ' ' A' ' 81' ' ' LEU . 84.2 t80 -68.09 -28.6 67.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.144 -177.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.491 ' HE3' HD11 ' A' ' 9' ' ' ILE . 11.2 mmt -94.98 -15.31 23.64 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.697 0.284 . . . . 0.0 111.009 177.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -78.94 -43.16 25.22 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.556 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -77.02 151.22 35.67 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 120.859 0.361 . . . . 0.0 110.164 177.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt . . . . . 0 C--N 1.321 -0.641 0 CA-C-O 121.005 0.431 . . . . 0.0 110.784 -178.408 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.624 HD12 HG13 ' A' ' 33' ' ' VAL . 9.2 tp . . . . . 0 N--CA 1.469 0.481 0 CA-C-O 122.608 1.194 . . . . 0.0 111.433 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.491 ' HG3' ' HB2' ' A' ' 8' ' ' ARG . 15.5 pt-20 -126.36 164.23 21.54 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.435 -1.257 . . . . 0.0 109.924 -176.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.7 m -68.25 132.2 32.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.991 0.424 . . . . 0.0 110.662 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.13 9.99 83.29 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.79 177.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.654 ' HD2' ' HB2' ' A' ' 60' ' ' LYS . 5.9 tpt180 -88.75 126.66 35.44 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 177.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 mp -77.84 126.76 38.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 178.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.428 ' SG ' HD21 ' A' ' 54' ' ' LEU . 5.7 p -121.79 153.23 38.58 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.451 -178.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.2 p -120.78 150.84 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.698 -176.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.488 ' HG3' ' HB2' ' A' ' 20' ' ' SER . 31.1 mmmt -75.75 111.54 11.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.554 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.8 t . . . . . 0 C--N 1.325 -0.496 0 CA-C-O 121.866 0.841 . . . . 0.0 109.877 -178.221 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.339 0 N-CA-C 113.809 0.284 . . . . 0.0 113.809 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.488 ' HB2' ' HG3' ' A' ' 12' ' ' LYS . 17.7 m -103.15 114.14 28.19 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 175.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.45 ' HD2' ' N ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -104.61 143.78 32.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.353 -177.092 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.491 ' SG ' HG11 ' A' ' 44' ' ' VAL . 72.8 m -138.54 156.2 47.72 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.893 177.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 62.1 t -106.21 127.86 61.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 177.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.542 ' HA ' HG11 ' A' ' 35' ' ' VAL . 60.9 mt -69.42 118.6 14.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 178.301 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 66.0 t -111.25 -49.71 6.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.469 -176.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.453 ' HA ' ' HE3' ' A' ' 65' ' ' LYS . 14.8 t70 -130.89 121.81 25.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.903 0.383 . . . . 0.0 111.571 -175.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.421 ' HA ' HG12 ' A' ' 33' ' ' VAL . 3.4 mp -88.62 95.11 5.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 174.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.429 HD12 ' HB2' ' A' ' 34' ' ' LEU . 43.1 mt -72.36 -52.09 25.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.512 -177.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.431 ' CG ' ' H ' ' A' ' 30' ' ' ASP . 20.4 t70 -138.36 177.38 7.92 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.581 -175.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.431 ' H ' ' CG ' ' A' ' 29' ' ' ASP . 16.8 m-20 -72.36 -25.37 61.5 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.715 179.134 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.453 ' O ' ' HA ' ' A' ' 50' ' ' ASN . 17.5 m120 -107.24 -43.27 4.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.943 -179.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -102.07 132.29 48.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.73 0.3 . . . . 0.0 111.403 -177.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.624 HG13 HD12 ' A' ' 4' ' ' ILE . 18.1 m -134.76 167.21 26.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.704 177.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.429 ' HB2' HD12 ' A' ' 28' ' ' ILE . 4.7 tt -111.39 116.06 30.32 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.224 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.542 HG11 ' HA ' ' A' ' 24' ' ' ILE . 28.9 m -117.41 139.75 43.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.438 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.409 ' HA ' ' HB3' ' A' ' 46' ' ' ARG . 23.7 m -111.17 122.4 47.77 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.193 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -99.24 158.42 19.99 Favored Glycine 0 N--CA 1.443 -0.9 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 177.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.437 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 24.1 Cg_exo -63.96 105.37 0.55 Allowed 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.346 2.031 . . . . 0.0 111.071 177.16 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -77.97 -33.57 51.4 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.345 0.593 . . . . 0.0 110.13 -174.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -83.45 -31.79 26.39 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.678 -179.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.556 HG13 ' HE3' ' A' ' 73' ' ' LYS . 64.6 mt -87.21 -75.14 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.929 0.395 . . . . 0.0 111.293 -179.211 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.414 ' H ' ' HB2' ' A' ' 38' ' ' PRO . 2.2 m -75.45 -42.74 52.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 -175.172 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.34 11.08 20.78 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 121.164 -0.541 . . . . 0.0 111.902 -177.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.491 HG11 ' SG ' ' A' ' 22' ' ' CYS . 22.1 t -90.97 148.31 4.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.711 0.291 . . . . 0.0 110.39 -178.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -117.42 154.32 31.57 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.452 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 7.6 ppt_? -71.72 126.69 30.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.041 0.448 . . . . 0.0 110.907 179.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 54.6 mtp85 -142.21 176.45 8.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.77 -175.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -98.36 109.55 22.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.638 177.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.2 p -127.78 156.33 39.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.226 -176.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.453 ' HA ' ' O ' ' A' ' 31' ' ' ASN . 10.5 p30 -91.92 143.97 25.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.854 0.359 . . . . 0.0 110.345 178.076 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.6 mt -68.16 -17.91 22.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.085 -177.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.4 tp -69.43 -10.26 57.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.561 -175.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -128.53 18.56 6.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.986 0.422 . . . . 0.0 110.6 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.428 HD21 ' SG ' ' A' ' 10' ' ' CYS . 39.0 tp -137.92 126.68 23.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.373 -176.214 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -115.37 123.93 30.85 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 120.888 0.375 . . . . 0.0 111.715 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -66.01 127.69 18.19 Favored 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 123.0 2.467 . . . . 0.0 111.006 170.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 67.0 p -79.33 -174.21 4.07 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.347 0.594 . . . . 0.0 111.376 -175.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -72.38 -26.89 62.06 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.008 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -93.91 153.42 18.24 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.344 0.593 . . . . 0.0 111.821 -174.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.654 ' HB2' ' HD2' ' A' ' 8' ' ' ARG . 26.5 tttp -153.35 154.72 35.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.937 -175.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.596 ' N ' ' HG2' ' A' ' 60' ' ' LYS . 26.9 pt -116.12 132.73 64.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 171.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -87.48 102.46 14.59 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 -176.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.421 ' CG2' ' HG2' ' A' ' 75' ' ' LYS . 34.2 pt -136.15 -178.66 2.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.738 -174.07 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.58 169.1 10.59 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 172.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.453 ' HE3' ' HA ' ' A' ' 26' ' ' ASP . 87.6 tttt -77.81 106.21 9.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.123 0.487 . . . . 0.0 110.672 -179.24 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 146.27 63.34 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.59 140.02 32.63 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.953 0.406 . . . . 0.0 111.138 -175.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.458 ' O ' HG22 ' A' ' 72' ' ' VAL . 43.5 p -127.34 175.92 7.82 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.348 176.478 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.447 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 15.5 t70 -57.31 -39.49 75.9 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.425 0.631 . . . . 0.0 109.422 177.173 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -63.16 -51.03 68.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.954 178.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -60.89 -42.43 97.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.563 -179.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 68' ' ' SER . 71.6 t -59.04 -44.87 92.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.292 176.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.556 ' HE3' HG13 ' A' ' 41' ' ' ILE . 1.5 mptm? -51.91 -48.92 63.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.177 0.513 . . . . 0.0 111.107 176.269 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 94.4 mttt -69.38 -40.03 77.65 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.73 -175.096 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.421 ' HG2' ' CG2' ' A' ' 63' ' ' ILE . 13.7 mptt -71.98 -32.21 67.02 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.829 0.347 . . . . 0.0 111.159 177.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.499 HD21 ' HG3' ' A' ' 85' ' ' MET . 5.2 mp -68.44 -30.07 68.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.12 173.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 74' ' ' LYS . 33.9 mm-40 -66.52 -36.27 82.29 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.677 173.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -70.6 -49.73 44.68 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.201 179.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.1 m -90.58 -10.96 41.49 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -173.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 15.5 m120 61.01 26.87 16.79 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.058 0.456 . . . . 0.0 110.549 -177.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 33.0 tp -85.25 9.02 16.39 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.525 -176.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.1 m -61.0 -22.11 64.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.541 -178.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -68.13 -52.24 37.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.949 0.404 . . . . 0.0 110.754 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -62.22 -34.86 77.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.214 -177.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.499 ' HG3' HD21 ' A' ' 76' ' ' LEU . 98.2 mmm -77.16 -20.39 55.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.795 -175.302 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -99.37 -17.56 17.94 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.794 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -61.82 121.01 11.83 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.262 0.553 . . . . 0.0 110.387 178.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt . . . . . 0 C--N 1.32 -0.717 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.977 -172.752 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.418 ' N ' HD13 ' A' ' 4' ' ' ILE . 4.1 mp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.006 0.432 . . . . 0.0 110.06 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -117.99 153.06 34.29 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.238 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.2 m -60.6 129.61 23.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.511 0.672 . . . . 0.0 111.019 177.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.03 -2.11 78.78 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.734 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.5 ttt180 -91.52 119.45 31.48 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.955 0.407 . . . . 0.0 110.06 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 45.8 mt -68.54 126.66 28.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.905 -176.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.47 ' CB ' HD13 ' A' ' 54' ' ' LEU . 51.9 m -130.41 145.26 51.79 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.105 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.567 HG22 ' HG3' ' A' ' 12' ' ' LYS . 7.4 p -150.4 143.41 17.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -173.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.567 ' HG3' HG22 ' A' ' 11' ' ' VAL . 0.0 OUTLIER 48.83 173.3 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 116.223 1.935 . . . . 0.0 116.223 169.748 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.7 t . . . . . 0 N--CA 1.465 0.306 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.219 176.522 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.115 -0.394 . . . . 0.0 112.115 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.409 ' O ' HG21 ' A' ' 11' ' ' VAL . 11.9 p -111.52 150.53 29.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.684 0.278 . . . . 0.0 110.743 -177.215 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.419 ' HG2' ' HB ' ' A' ' 11' ' ' VAL . 44.1 mttp -92.27 145.44 24.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.291 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 63.9 m -140.99 153.0 45.38 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.059 177.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.8 t -122.42 122.34 65.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.556 -178.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.414 HD12 ' N ' ' A' ' 24' ' ' ILE . 3.6 mp -72.51 122.97 26.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 178.424 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.429 ' HB ' HG21 ' A' ' 36' ' ' THR . 14.9 p -106.0 -28.89 2.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.63 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -150.36 133.67 16.35 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.937 0.398 . . . . 0.0 110.562 178.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 69.0 mt -95.7 108.9 21.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.125 -179.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.1 mt -97.32 -71.4 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.346 -179.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.548 ' HB2' ' H ' ' A' ' 32' ' ' PHE . 12.0 m-20 -115.36 171.49 7.67 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 178.284 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -79.91 -14.27 58.75 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.654 0.74 . . . . 0.0 109.067 170.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.768 ' O ' ' HA ' ' A' ' 50' ' ' ASN . 17.2 m120 -94.34 -40.82 9.75 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.828 178.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.548 ' H ' ' HB2' ' A' ' 29' ' ' ASP . 98.3 m-85 -139.03 122.18 16.91 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 120.609 0.242 . . . . 0.0 111.095 -177.164 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.7 m -118.04 171.61 6.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 174.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.2 tp -95.37 115.35 27.3 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 177.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.421 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 27.3 m -114.42 148.93 16.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.64 179.086 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.429 HG21 ' HB ' ' A' ' 25' ' ' VAL . 12.8 t -139.74 146.85 40.05 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.028 0.442 . . . . 0.0 110.427 -179.169 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.42 147.73 17.18 Favored Glycine 0 N--CA 1.439 -1.11 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 175.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.689 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 45.6 Cg_exo -56.04 110.6 0.59 Allowed 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 122.338 2.025 . . . . 0.0 111.416 178.504 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -66.15 -28.11 68.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.216 -176.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -83.89 -25.42 30.22 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.024 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.689 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 65.8 mt -98.94 -63.48 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.538 -175.338 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.0 p -92.97 -39.23 11.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.71 0.291 . . . . 0.0 111.05 -177.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.19 63.32 3.67 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.334 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.3 p -108.15 146.89 13.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 120.86 0.362 . . . . 0.0 110.426 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -72.71 114.12 10.5 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.759 178.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' A' ' 35' ' ' VAL . 46.1 ttp180 -79.98 108.48 13.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.711 -172.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -144.4 178.09 8.18 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -95.44 109.71 21.86 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 178.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.1 t -127.37 56.03 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 121.017 0.436 . . . . 0.0 111.632 -168.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.768 ' HA ' ' O ' ' A' ' 31' ' ' ASN . 0.9 OUTLIER 64.67 -175.97 0.17 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.762 -0.653 . . . . 0.0 112.386 175.906 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.419 ' C ' ' H ' ' A' ' 53' ' ' HIS . 47.1 mt -116.96 -49.71 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.815 174.306 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 25.6 tp -80.05 34.69 0.3 Allowed 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.603 0.716 . . . . 0.0 110.759 -176.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.419 ' H ' ' C ' ' A' ' 51' ' ' ILE . 37.2 t-80 -106.98 5.24 27.98 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.446 179.655 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.47 HD13 ' CB ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER -154.5 166.33 33.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.836 179.749 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -109.44 136.83 20.19 Favored Pre-proline 0 C--N 1.332 -0.187 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.634 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.426 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 61.5 Cg_endo -74.44 137.57 23.27 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.684 2.256 . . . . 0.0 112.405 178.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 30.9 p -82.5 170.95 14.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.671 178.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -85.74 -47.28 9.91 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 121.108 -0.237 . . . . 0.0 110.904 -178.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -88.15 144.61 26.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.085 0.469 . . . . 0.0 110.42 178.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -131.34 158.49 40.57 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.733 -170.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.3 pt -112.68 106.15 20.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 167.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -80.18 107.84 13.3 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.162 0.506 . . . . 0.0 110.99 -172.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.4 HG23 ' HG2' ' A' ' 75' ' ' LYS . 34.3 pt -113.82 -173.65 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.857 177.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -93.83 161.97 14.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.878 0.37 . . . . 0.0 110.589 177.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -79.76 125.51 29.77 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.28 -176.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.79 50.4 3.33 Favored Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -174.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.423 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . . . -101.52 -178.57 3.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.977 0.418 . . . . 0.0 111.25 -176.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.484 ' HG ' ' CD ' ' A' ' 70' ' ' GLU . 15.6 p -147.18 -169.11 3.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.683 -176.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -57.08 -42.54 80.87 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.373 0.421 . . . . 0.0 110.195 -179.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.532 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 1.6 mp0 -56.2 -52.56 63.98 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.519 179.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.423 ' HB3' ' HB3' ' A' ' 67' ' ' ALA . 3.7 tp10 -64.45 -45.95 85.25 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.944 -178.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.487 ' O ' ' HB2' ' A' ' 76' ' ' LEU . 99.6 t -60.78 -41.01 86.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.288 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.8 ttpt -66.75 -38.97 87.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.846 -178.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.532 ' HG2' ' O ' ' A' ' 70' ' ' GLU . 33.3 mmtp -58.27 -54.55 45.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.908 0.385 . . . . 0.0 110.547 177.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.4 ' HG2' HG23 ' A' ' 63' ' ' ILE . 14.3 mptt -65.39 -39.68 92.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.069 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.487 ' HB2' ' O ' ' A' ' 72' ' ' VAL . 10.4 tp -65.43 -36.42 83.88 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.608 -177.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -70.36 -44.16 68.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.098 0.475 . . . . 0.0 109.948 177.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -60.0 -42.64 94.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.704 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.3 t -86.43 -9.66 55.83 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.279 -178.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 58.46 36.95 25.66 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.728 0.775 . . . . 0.0 110.13 -178.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.451 ' HB3' HD12 ' A' ' 76' ' ' LEU . 23.0 tp -104.05 14.59 30.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.425 -174.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.439 ' HA ' ' CD2' ' A' ' 76' ' ' LEU . 6.6 m -56.95 -37.63 71.82 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.965 -176.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -61.63 -35.26 77.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.992 -177.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -61.82 -29.98 70.52 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.207 -177.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 14.5 mmt -72.9 -38.95 66.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.16 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -86.72 37.4 0.75 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.179 0.514 . . . . 0.0 110.421 -174.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -130.41 136.91 49.54 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.898 177.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.9 pttp . . . . . 0 C--N 1.319 -0.755 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.497 -178.854 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.42 ' N ' HD11 ' A' ' 4' ' ' ILE . 3.5 mp . . . . . 0 C--O 1.234 0.286 0 CA-C-O 121.806 0.812 . . . . 0.0 109.655 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -120.95 144.39 48.5 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.113 -172.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.4 m -58.7 125.97 15.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.095 176.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.433 ' O ' HG12 ' A' ' 61' ' ' ILE . . . 118.7 -20.07 10.22 Favored Glycine 0 N--CA 1.44 -1.036 0 C-N-CA 120.238 -0.982 . . . . 0.0 112.728 -178.248 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.506 ' HB2' ' HB3' ' A' ' 60' ' ' LYS . 62.3 ttt180 -90.85 139.01 31.15 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 119.889 -0.724 . . . . 0.0 110.398 178.101 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 45.0 mt -77.54 145.97 9.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.032 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.1 p -133.39 148.02 51.8 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 174.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.538 HG12 HG13 ' A' ' 13' ' ' VAL . 15.0 p -107.5 143.97 17.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.154 0.502 . . . . 0.0 111.289 -177.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -85.1 80.91 9.08 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.538 HG13 HG12 ' A' ' 11' ' ' VAL . 13.0 m . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 115.461 -0.79 . . . . 0.0 112.302 -174.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.378 0 N-CA-C 111.783 -0.527 . . . . 0.0 111.783 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.6 m -79.75 125.0 29.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.886 0.374 . . . . 0.0 110.249 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -117.81 155.07 30.71 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.152 -177.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 75.3 m -140.58 152.97 45.91 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.854 176.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.3 t -106.95 135.5 45.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.188 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.46 ' HA ' HG11 ' A' ' 35' ' ' VAL . 53.2 mt -70.66 108.78 2.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 176.416 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.1 m -105.16 -25.12 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.722 -175.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -158.64 152.51 23.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.869 0.366 . . . . 0.0 110.713 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.9 mt -110.29 115.31 49.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 177.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 47.0 mm -86.07 -49.64 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.17 -175.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.521 ' CG ' ' H ' ' A' ' 30' ' ' ASP . 13.8 t70 -136.66 -162.85 1.33 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -175.223 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.521 ' H ' ' CG ' ' A' ' 29' ' ' ASP . 11.8 t70 -81.36 -45.24 16.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.712 0.768 . . . . 0.0 109.05 178.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.414 ' OD1' ' HB2' ' A' ' 50' ' ' ASN . 31.2 t30 -93.74 -32.31 14.06 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.576 -178.528 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.453 ' HA ' ' HA ' ' A' ' 50' ' ' ASN . 22.8 m-85 -100.39 136.65 39.95 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.577 -176.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.6 m -133.01 168.5 24.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.208 178.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 46.0 tp -111.91 115.48 29.04 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.247 0.546 . . . . 0.0 109.942 178.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.46 HG11 ' HA ' ' A' ' 24' ' ' ILE . 27.5 m -125.19 149.83 30.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.033 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.8 t -152.18 146.65 25.63 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.492 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -102.51 112.61 4.34 Favored Glycine 0 N--CA 1.444 -0.816 0 N-CA-C 110.231 -1.148 . . . . 0.0 110.231 174.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.46 ' HD2' ' HE1' ' A' ' 85' ' ' MET . 48.2 Cg_exo -29.85 114.88 0.05 OUTLIER 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 124.475 3.45 . . . . 0.0 113.337 -174.284 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.553 ' HA ' ' HA2' ' A' ' 43' ' ' GLY . 85.2 tttt -66.91 -34.28 77.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.459 -171.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.57 ' HB3' ' HE2' ' A' ' 73' ' ' LYS . 31.9 t70 -73.09 -21.16 60.81 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.945 -178.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 59.5 mt -106.01 -70.1 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.877 -177.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -86.87 -40.68 14.65 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.965 -176.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.553 ' HA2' ' HA ' ' A' ' 39' ' ' LYS . . . 84.64 35.17 14.12 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.981 177.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.1 t -90.03 122.89 41.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.782 0.325 . . . . 0.0 110.724 -177.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -73.74 112.04 9.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.804 177.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -71.97 149.94 44.55 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.057 -175.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.2 mtp180 -139.8 160.66 39.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.666 176.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -83.95 108.01 16.67 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 177.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 30.6 m -126.27 178.55 4.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.056 0.455 . . . . 0.0 111.624 -173.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.453 ' HA ' ' HA ' ' A' ' 32' ' ' PHE . 29.6 p-10 -116.14 168.51 10.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.9 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.3 mm -65.26 -29.97 48.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.215 -176.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.0 mp -76.98 30.45 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 -171.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -144.48 5.74 1.24 Allowed 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 178.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.8 pp -151.82 162.72 40.58 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -176.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.415 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 11.7 pt-20 -138.54 148.13 57.7 Favored Pre-proline 0 N--CA 1.451 -0.42 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.018 175.397 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 55' ' ' GLU . 14.2 Cg_exo -69.4 146.94 64.02 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.97 2.446 . . . . 0.0 112.77 -179.017 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.3 p -130.68 143.98 51.12 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.461 -179.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.495 ' CG ' ' H ' ' A' ' 59' ' ' LYS . 6.3 t70 55.9 -151.74 0.39 Allowed 'General case' 0 CA--C 1.536 0.417 0 O-C-N 124.054 0.846 . . . . 0.0 111.692 173.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.495 ' H ' ' CG ' ' A' ' 58' ' ' ASP . 29.5 mtmm -94.18 166.87 11.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.668 -174.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.506 ' HB3' ' HB2' ' A' ' 8' ' ' ARG . 3.4 ptmm? -103.66 154.39 19.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.983 0.421 . . . . 0.0 111.213 178.024 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.433 HG12 ' O ' ' A' ' 7' ' ' GLY . 29.8 pt -96.51 152.32 3.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 169.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -85.15 94.01 8.78 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.167 0.508 . . . . 0.0 111.703 -176.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.532 ' CG2' ' HG3' ' A' ' 75' ' ' LYS . 30.6 pt -134.58 173.47 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.486 174.261 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -121.97 172.36 8.27 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.582 178.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -56.77 123.42 14.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.181 -174.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.94 47.27 1.27 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.33 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -96.07 132.63 41.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.689 -0.301 . . . . 0.0 111.049 -179.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.6 m -93.08 171.63 8.82 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.842 179.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -54.21 -50.6 66.74 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 122.726 0.41 . . . . 0.0 111.132 178.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -57.99 -44.85 87.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.804 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.573 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 5.0 tp10 -58.51 -55.81 30.19 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.638 179.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 96.3 t -59.84 -39.3 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-O 121.119 0.485 . . . . 0.0 110.634 -179.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.57 ' HE2' ' HB3' ' A' ' 40' ' ' ASP . 33.6 ttmt -56.94 -48.78 77.51 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.955 178.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.474 ' O ' ' HB3' ' A' ' 77' ' ' GLU . 9.1 tmtm? -72.65 -36.37 67.96 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.626 -176.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.573 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 74.9 mmtt -65.64 -45.7 82.01 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.803 0.335 . . . . 0.0 110.602 177.178 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 39.0 tp -63.09 -30.36 71.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.228 0.537 . . . . 0.0 110.05 177.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.474 ' HB3' ' O ' ' A' ' 74' ' ' LYS . 45.2 tt0 -63.7 -48.14 78.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.354 176.377 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -61.01 -49.38 77.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.205 178.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.4 m -66.71 -27.34 67.55 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 120.832 0.349 . . . . 0.0 110.888 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 65.65 52.9 1.26 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.784 178.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -117.37 22.64 12.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.888 176.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.3 m -54.93 -39.59 68.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.801 -177.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -59.52 -43.86 93.32 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.309 -178.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -65.12 -34.21 77.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.022 -177.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.46 ' HE1' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -80.71 -51.56 8.54 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.881 -176.472 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -66.31 -41.38 89.8 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.421 -175.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -71.4 128.07 34.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.444 0.64 . . . . 0.0 109.79 179.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt . . . . . 0 C--N 1.317 -0.81 0 CA-C-O 121.523 0.677 . . . . 0.0 110.647 -177.915 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.6 mm . . . . . 0 C--O 1.234 0.28 0 CA-C-O 121.525 0.678 . . . . 0.0 111.808 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.536 ' OE2' ' HD2' ' A' ' 8' ' ' ARG . 0.6 OUTLIER -139.46 177.4 7.96 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.012 176.083 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.438 ' HB ' HD11 ' A' ' 63' ' ' ILE . 6.2 m -72.41 121.91 23.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.32 0.581 . . . . 0.0 111.348 -178.426 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.03 4.14 48.13 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.365 -179.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.536 ' HD2' ' OE2' ' A' ' 5' ' ' GLU . 39.6 ttt85 -83.61 121.77 27.69 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.825 0.345 . . . . 0.0 110.738 -179.409 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.77 HG13 HG23 ' A' ' 23' ' ' VAL . 3.1 mp -81.22 133.08 30.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 175.176 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.4 m -126.21 145.08 50.53 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.896 178.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.0 p -102.68 149.83 6.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.043 0.449 . . . . 0.0 110.189 -179.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -76.83 132.75 39.36 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.423 -179.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.4 t . . . . . 0 C--N 1.326 -0.449 0 CA-C-O 122.082 0.944 . . . . 0.0 109.37 178.24 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.6 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.3 m -129.02 106.48 8.91 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.004 0.431 . . . . 0.0 110.788 -178.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -103.27 144.31 31.52 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.479 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 61.8 m -139.77 152.79 46.88 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.659 0.266 . . . . 0.0 110.58 -178.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.77 HG23 HG13 ' A' ' 9' ' ' ILE . 45.4 t -112.35 132.45 61.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.53 -177.661 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 63.8 mt -78.89 109.82 13.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 175.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.2 t -101.87 -27.59 3.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.738 -178.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.401 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 18.2 t0 -138.78 129.98 26.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.148 0.499 . . . . 0.0 111.022 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 57.2 mt -99.56 97.98 6.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.452 -0.795 . . . . 0.0 108.884 175.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 24.9 mt -74.92 -57.6 6.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.62 -175.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -118.34 -177.31 3.26 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.073 176.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -76.7 -40.21 49.5 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.166 0.507 . . . . 0.0 110.105 178.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -95.19 -14.62 23.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.228 -179.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.596 ' CE2' ' HB3' ' A' ' 48' ' ' ARG . 3.2 t80 -123.91 123.37 40.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.437 -171.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.4 m -125.23 169.76 16.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.989 0.423 . . . . 0.0 111.361 -176.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.401 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . 51.3 tp -111.88 116.25 30.34 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.605 177.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 31.5 m -112.86 149.13 15.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.35 0.595 . . . . 0.0 110.996 -178.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.6 t -166.67 -177.19 3.81 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.328 -0.851 . . . . 0.0 108.761 177.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.96 167.74 30.0 Favored Glycine 0 N--CA 1.441 -1.003 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.652 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 22.8 Cg_exo -63.84 125.33 15.16 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.223 1.949 . . . . 0.0 110.63 175.056 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.478 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 11.5 mptt -77.55 -25.51 50.15 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.216 0.531 . . . . 0.0 110.037 -176.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -83.3 -16.49 46.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.703 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.652 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 64.5 mt -108.34 -51.51 7.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.683 -178.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.5 m -112.56 -48.66 3.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.713 0.292 . . . . 0.0 111.109 -174.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.426 ' HA2' ' HA ' ' A' ' 39' ' ' LYS . . . 101.21 22.86 10.15 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.767 -179.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.447 ' O ' ' HE3' ' A' ' 39' ' ' LYS . 52.8 t -86.41 123.42 39.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.842 0.353 . . . . 0.0 110.395 178.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -79.95 179.37 7.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.678 -178.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -89.64 126.06 35.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.74 179.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -149.38 152.46 35.8 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.246 175.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.596 ' HB3' ' CE2' ' A' ' 32' ' ' PHE . 72.0 mtm180 -90.77 144.43 25.73 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 177.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.0 p -152.6 156.96 5.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.894 0.378 . . . . 0.0 110.53 -179.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.5 p30 -90.59 161.5 15.4 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.823 176.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.9 pt -83.59 5.67 2.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.011 0.434 . . . . 0.0 111.247 179.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.0 mp -85.47 -10.65 55.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.488 -174.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 24.0 t60 -131.81 30.76 4.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.07 0.462 . . . . 0.0 110.631 -178.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.7 mt -129.38 140.75 51.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.042 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -120.4 141.14 31.4 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.116 173.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -79.43 141.16 15.7 Favored 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 122.589 2.193 . . . . 0.0 112.774 -177.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.6 p -81.68 172.83 12.95 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.403 175.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -66.86 -35.4 79.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.039 0.447 . . . . 0.0 110.956 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -120.64 145.42 47.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.562 -173.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.633 ' HA ' HD13 ' A' ' 9' ' ' ILE . 1.0 OUTLIER -141.92 -177.05 5.02 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.246 174.062 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 38.1 pt -122.78 175.58 5.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -124.2 110.72 15.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.668 0.27 . . . . 0.0 110.6 -176.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.438 HD11 ' HB ' ' A' ' 6' ' ' VAL . 2.4 pp -137.92 -179.79 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.486 177.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.527 ' NE2' ' H ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -104.62 155.39 18.89 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 175.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.527 ' H ' ' NE2' ' A' ' 64' ' ' GLN . 28.5 ttmt -59.5 136.32 57.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.047 0.451 . . . . 0.0 110.799 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.56 30.66 12.95 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.05 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.05 141.28 40.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.758 0.313 . . . . 0.0 110.729 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.8 p -84.71 172.18 11.73 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.642 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 14.6 t70 -57.05 -36.54 70.63 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.528 0.68 . . . . 0.0 109.543 175.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.54 ' O ' ' HG3' ' A' ' 74' ' ' LYS . 0.8 OUTLIER -75.11 -39.23 60.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.405 -178.649 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -65.49 -46.51 79.44 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.85 0.357 . . . . 0.0 110.505 178.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 86.2 t -61.98 -38.51 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 175.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.573 ' HG3' HD11 ' A' ' 41' ' ' ILE . 34.3 ttmt -60.12 -43.87 95.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.965 177.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.54 ' HG3' ' O ' ' A' ' 70' ' ' GLU . 67.6 mttm -56.24 -58.27 8.68 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-O 120.983 0.421 . . . . 0.0 110.565 177.378 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.1 mmtt -66.26 -37.37 85.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.455 -176.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.45 HD21 HD12 ' A' ' 41' ' ' ILE . 25.2 tp -62.18 -41.66 98.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.066 0.46 . . . . 0.0 109.778 178.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.407 ' HA ' ' HG1' ' A' ' 82' ' ' THR . 0.9 OUTLIER -68.62 -47.28 67.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.847 177.321 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -56.41 -48.9 76.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.986 -178.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.0 m -77.06 -6.03 51.14 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.841 0.311 . . . . 0.0 111.841 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.427 ' N ' HD21 ' A' ' 80' ' ' ASN . 0.9 OUTLIER 69.35 27.36 5.07 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 122.759 0.424 . . . . 0.0 111.548 177.239 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.433 HD11 ' HA ' ' A' ' 81' ' ' LEU . 3.2 mm? -96.29 0.82 51.37 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.458 -178.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.407 ' HG1' ' HA ' ' A' ' 77' ' ' GLU . 10.8 m -57.6 -46.03 84.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.579 -177.428 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -62.33 -49.83 74.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.186 0.517 . . . . 0.0 110.424 -177.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -68.51 -28.25 66.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.414 -177.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.47 -44.52 51.15 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -70.24 -26.56 63.9 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.103 -178.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -58.59 121.59 11.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.076 -179.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.676 ' HD3' ' H ' ' A' ' 88' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.295 -178.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.9 mm . . . . . 0 C--O 1.232 0.147 0 CA-C-O 121.605 0.717 . . . . 0.0 109.177 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -147.88 142.59 26.66 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.448 -0.797 . . . . 0.0 109.886 -171.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.557 HG12 ' HG3' ' A' ' 65' ' ' LYS . 26.0 m -60.08 139.43 19.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.242 0.544 . . . . 0.0 110.717 -179.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.38 -22.69 39.42 Favored Glycine 0 N--CA 1.443 -0.881 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.276 -178.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -87.17 137.96 31.9 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.422 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.519 HG12 HG22 ' A' ' 23' ' ' VAL . 45.8 mt -75.71 145.09 11.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.09 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.406 ' SG ' ' HA ' ' A' ' 56' ' ' PRO . 72.9 m -136.91 155.6 49.55 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 176.492 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.2 p -133.03 151.64 34.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.832 -175.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.551 ' HD3' ' HB3' ' A' ' 20' ' ' SER . 12.1 mptt -64.39 125.88 26.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.323 176.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.3 t . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.641 -178.994 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 113.993 0.357 . . . . 0.0 113.993 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.551 ' HB3' ' HD3' ' A' ' 12' ' ' LYS . 21.0 t -148.26 92.06 1.98 Allowed 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.505 0.669 . . . . 0.0 109.675 173.508 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt -103.13 142.34 34.31 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.737 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 73.0 m -148.65 154.69 40.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.255 -178.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.519 HG22 HG12 ' A' ' 9' ' ' ILE . 47.5 t -104.03 140.58 21.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 178.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 56.1 mt -71.14 96.93 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 173.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.431 ' HB ' ' O ' ' A' ' 67' ' ' ALA . 32.8 m -87.26 -28.48 5.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.277 -174.475 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -163.4 152.68 14.7 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.409 -176.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.418 HG22 HG12 ' A' ' 33' ' ' VAL . 60.0 mt -103.98 117.74 50.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.024 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.517 HD12 HD11 ' A' ' 34' ' ' LEU . 49.7 mm -82.89 -58.94 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.21 0.528 . . . . 0.0 111.022 -176.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.538 ' CG ' ' H ' ' A' ' 30' ' ' ASP . 22.0 t70 -119.32 -165.25 1.13 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.153 -0.931 . . . . 0.0 108.848 -175.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.538 ' H ' ' CG ' ' A' ' 29' ' ' ASP . 21.0 t70 -89.26 -26.78 21.0 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-O 121.606 0.717 . . . . 0.0 109.298 176.68 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -105.85 -25.2 12.25 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.135 -0.938 . . . . 0.0 110.551 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -114.04 136.71 52.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.84 -174.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.418 HG12 HG22 ' A' ' 27' ' ' ILE . 26.8 m -121.71 170.99 11.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.431 176.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.517 HD11 HD12 ' A' ' 28' ' ' ILE . 4.9 tt -109.2 116.46 31.96 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.44 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.4 m -122.3 136.01 60.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.251 178.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.3 t -150.97 174.73 12.8 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.973 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -133.63 141.09 12.39 Favored Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo -47.71 133.98 21.97 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 123.715 2.943 . . . . 0.0 112.527 -176.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -56.82 -58.56 7.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.481 -171.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -72.45 -16.18 61.82 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.724 -172.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.419 HD13 HG22 ' A' ' 82' ' ' THR . 68.7 mt -98.53 -52.93 8.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.971 0.415 . . . . 0.0 111.081 -175.603 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.2 m -115.26 -59.34 2.02 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.519 -178.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.03 67.27 1.48 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.748 178.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.5 t -120.73 110.28 27.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 122.72 -0.282 . . . . 0.0 110.799 179.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -66.74 136.95 56.27 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 177.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.07 149.55 25.48 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.234 0.54 . . . . 0.0 112.44 -168.368 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 53.5 mtm180 -143.84 161.73 37.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.02 -0.991 . . . . 0.0 108.753 170.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 67.7 mtt85 -68.82 110.54 4.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.799 0.333 . . . . 0.0 111.157 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 56.5 t -113.78 138.97 41.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.8 p30 -88.35 158.26 18.47 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.053 0.454 . . . . 0.0 110.992 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 30.1 pt -83.74 10.38 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.999 -176.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -95.32 -32.45 12.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.904 0.383 . . . . 0.0 110.82 -179.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -107.79 21.65 17.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.087 0.47 . . . . 0.0 110.398 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 46.2 tp -132.32 127.93 36.62 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.034 -178.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.431 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 44.9 mt-10 -116.82 140.94 27.49 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 178.007 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 55' ' ' GLU . 3.7 Cg_exo -78.81 144.15 19.08 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 123.029 2.486 . . . . 0.0 113.05 -174.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.0 m -83.73 164.31 19.68 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.24 175.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -65.29 -29.35 70.1 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -175.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -88.33 146.94 25.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.142 0.496 . . . . 0.0 112.14 -173.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 67.0 tttt -147.27 131.74 17.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.186 177.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.2 pt -98.52 112.45 30.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 171.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -77.65 101.52 6.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.015 0.436 . . . . 0.0 110.765 -174.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 12.5 pt -134.7 -177.37 2.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.373 -178.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -75.11 154.84 37.62 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.718 177.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.557 ' HG3' HG12 ' A' ' 6' ' ' VAL . 28.9 ttpp -69.37 130.2 41.89 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 178.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.21 54.12 0.81 Allowed Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 110.619 -0.993 . . . . 0.0 110.619 -173.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.431 ' O ' ' HB ' ' A' ' 25' ' ' VAL . . . -76.92 113.29 14.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.04 0.448 . . . . 0.0 111.28 -176.338 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.9 m -86.76 166.44 15.25 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.415 177.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 10.0 t70 -52.35 -38.44 58.7 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.193 0.52 . . . . 0.0 110.35 176.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.537 ' HG2' ' HE3' ' A' ' 74' ' ' LYS . 22.5 tt0 -59.85 -53.03 62.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.665 177.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.0 tp10 -62.75 -47.49 83.3 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.786 -175.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 71.5 t -62.0 -38.56 81.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.452 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 69' ' ' ASP . 30.3 ttmt -64.64 -44.45 90.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.691 -177.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.537 ' HE3' ' HG2' ' A' ' 70' ' ' GLU . 99.6 mttt -60.25 -56.83 16.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.846 179.133 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.6 -29.47 65.88 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.298 -172.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.433 HD22 ' HG3' ' A' ' 85' ' ' MET . 46.7 tp -68.54 -37.42 79.96 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.104 176.249 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.74 -43.77 95.49 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 177.644 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -62.31 -36.72 83.01 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.278 177.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.8 t -73.59 -23.58 59.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.267 -177.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.7 m120 70.49 14.64 7.32 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 123.579 0.549 . . . . 0.0 111.393 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -95.64 17.39 14.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.119 0.485 . . . . 0.0 110.655 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.419 HG22 HD13 ' A' ' 41' ' ' ILE . 1.8 m -56.93 -43.99 82.03 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.411 -178.293 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -60.03 -38.02 81.49 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.76 -177.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -60.69 -27.43 67.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.439 -178.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.433 ' HG3' HD22 ' A' ' 76' ' ' LEU . 21.9 mmt -71.8 -45.02 62.92 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.324 -178.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -86.63 -28.96 22.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.612 0.244 . . . . 0.0 111.304 -174.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -70.6 135.93 48.82 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 176.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 63.1 mttp . . . . . 0 C--O 1.235 0.337 0 O-C-N 123.734 0.646 . . . . 0.0 110.996 -173.972 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.476 HG23 HD12 ' A' ' 24' ' ' ILE . 86.0 mt . . . . . 0 CA--C 1.532 0.284 0 CA-C-O 121.501 0.667 . . . . 0.0 110.583 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -143.59 157.08 44.69 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.219 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.501 HG13 ' HG3' ' A' ' 65' ' ' LYS . 21.4 m -61.85 139.94 19.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.208 0.527 . . . . 0.0 111.55 -179.054 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 61' ' ' ILE . . . 88.5 -8.16 79.75 Favored Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.759 178.635 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.9 ttt180 -94.27 133.82 37.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.899 0.381 . . . . 0.0 110.145 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.677 HG13 HG22 ' A' ' 23' ' ' VAL . 4.0 mp -80.97 132.47 31.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.191 -178.513 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.8 p -118.75 154.59 32.55 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.728 176.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.0 p -110.89 144.0 19.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 120.881 0.372 . . . . 0.0 110.714 -178.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -72.72 102.22 3.28 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 177.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--N 1.325 -0.461 0 CA-C-O 122.764 1.268 . . . . 0.0 110.234 -175.628 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 N-CA-C 111.811 -0.516 . . . . 0.0 111.811 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.9 m -116.57 98.96 6.83 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.968 0.413 . . . . 0.0 110.319 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -95.9 128.71 43.02 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.179 174.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 34.1 m -127.78 143.02 51.15 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.054 0.454 . . . . 0.0 110.199 -179.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.677 HG22 HG13 ' A' ' 9' ' ' ILE . 47.1 t -97.71 133.31 40.09 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.922 -178.37 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.476 HD12 HG23 ' A' ' 4' ' ' ILE . 57.2 mt -73.37 99.78 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 175.087 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 62.1 t -83.65 -46.56 18.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.043 -173.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.568 ' HB2' ' HA2' ' A' ' 66' ' ' GLY . 33.2 t70 -141.97 126.2 17.51 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 -178.048 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 67.4 mt -85.7 109.82 18.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.269 175.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 40.7 mt -96.34 -59.92 2.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.315 0.578 . . . . 0.0 110.408 -176.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.522 ' CG ' ' H ' ' A' ' 30' ' ' ASP . 16.9 t70 -110.24 -163.38 0.85 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.273 -0.876 . . . . 0.0 108.866 -178.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.522 ' H ' ' CG ' ' A' ' 29' ' ' ASP . 17.6 t70 -93.77 -33.96 13.38 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 177.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.575 ' O ' ' HA ' ' A' ' 50' ' ' ASN . 58.7 t30 -114.91 1.35 14.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.468 -179.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.519 ' HB2' ' HB3' ' A' ' 29' ' ' ASP . 62.1 m-85 -129.48 121.31 27.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.84 178.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.572 HG23 HG12 ' A' ' 35' ' ' VAL . 33.9 m -132.04 169.04 22.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 176.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.6 tt -94.56 115.62 27.8 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 176.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.572 HG12 HG23 ' A' ' 33' ' ' VAL . 16.0 m -124.7 143.54 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.583 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.0 t -172.09 -175.19 1.41 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.527 177.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.404 ' N ' ' HB ' ' A' ' 44' ' ' VAL . . . -135.7 138.85 10.26 Favored Glycine 0 N--CA 1.442 -0.921 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 178.315 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.594 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 90.8 Cg_exo -43.39 132.74 6.92 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 123.467 2.778 . . . . 0.0 112.898 -176.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.14 -8.71 57.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.046 -0.525 . . . . 0.0 112.035 -171.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.615 ' HB2' ' HE2' ' A' ' 73' ' ' LYS . 40.2 m-20 -103.13 -4.45 24.44 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.975 173.461 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.594 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 66.1 mt -121.74 -63.18 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 121.016 -0.273 . . . . 0.0 111.697 -175.142 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -97.33 -51.24 4.24 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.883 0.373 . . . . 0.0 111.136 -173.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.76 52.82 4.23 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.385 -178.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.404 ' HB ' ' N ' ' A' ' 37' ' ' GLY . 58.1 t -95.2 146.92 6.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 122.662 -0.317 . . . . 0.0 110.227 -179.524 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.493 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -81.91 138.4 35.02 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.008 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -80.88 116.6 20.94 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.143 -0.48 . . . . 0.0 112.026 -173.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 47' ' ' ARG . 8.7 mtt180 -148.48 150.1 32.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.037 172.187 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 71.5 mtm180 -105.78 122.07 45.34 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 175.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 20.6 m -130.99 176.74 8.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.232 -176.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.575 ' HA ' ' O ' ' A' ' 31' ' ' ASN . 13.0 m120 -77.55 127.99 33.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.31 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.427 HG13 ' HA ' ' A' ' 31' ' ' ASN . 2.8 pp -72.24 -2.95 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -174.178 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.21 -21.1 66.45 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -177.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.9 m80 -116.7 22.42 12.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.02 0.438 . . . . 0.0 110.959 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -118.01 126.44 52.32 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 173.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -120.21 134.51 24.08 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -73.61 155.22 49.87 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.847 2.365 . . . . 0.0 112.911 -175.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.503 ' HB ' ' OH ' ' A' ' 84' ' ' TYR . 28.4 p -93.63 -170.87 2.46 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.831 177.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -61.35 -56.03 25.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.08 0.467 . . . . 0.0 112.116 -176.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -113.19 165.78 12.08 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.344 0.592 . . . . 0.0 112.359 -166.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -141.01 156.56 46.01 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.231 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.571 HD13 HG12 ' A' ' 72' ' ' VAL . 22.3 pt -106.57 122.41 60.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 169.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -78.98 101.2 7.65 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.121 0.486 . . . . 0.0 110.955 -172.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.9 pt -120.3 -178.13 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.633 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -85.56 149.29 25.46 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.886 177.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.501 ' HG3' HG13 ' A' ' 6' ' ' VAL . 23.4 ttpp -66.49 110.13 3.03 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.568 ' HA2' ' HB2' ' A' ' 26' ' ' ASP . . . 94.89 44.79 3.26 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.989 -178.117 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.7 174.75 10.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.073 0.463 . . . . 0.0 111.294 -179.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.8 m -106.51 167.51 9.79 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.338 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -51.49 -46.31 63.14 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.42 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -61.1 -42.1 97.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.545 -175.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -67.03 -48.68 67.6 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.86 0.362 . . . . 0.0 110.524 -178.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.571 HG12 HD13 ' A' ' 61' ' ' ILE . 84.2 t -57.82 -47.16 86.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.372 0.606 . . . . 0.0 110.245 178.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.615 ' HE2' ' HB2' ' A' ' 40' ' ' ASP . 27.3 ttmt -57.21 -49.27 76.53 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.115 178.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 30.2 tttm -65.68 -43.03 90.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.464 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.531 ' HE3' ' HA ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -59.85 -39.98 87.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.793 179.859 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 50.1 mt -60.6 -50.71 72.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.674 176.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -61.51 -50.8 71.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.855 178.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -58.95 -37.61 77.14 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.634 -1.166 . . . . 0.0 111.82 -174.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.6 m -93.48 -1.73 55.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.379 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.5 m120 63.82 27.49 14.58 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.471 -178.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 81' ' ' LEU . 3.4 mm? -89.15 12.88 14.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.023 0.44 . . . . 0.0 110.502 178.164 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.3 m -59.55 -41.62 90.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.123 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -60.78 -51.03 71.07 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 120.913 0.387 . . . . 0.0 110.973 -178.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.503 ' OH ' ' HB ' ' A' ' 57' ' ' THR . 41.1 t80 -65.33 -20.77 66.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.669 -174.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.39 -45.93 5.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.66 0.267 . . . . 0.0 110.937 -177.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -63.99 -33.12 75.0 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.088 0.47 . . . . 0.0 110.704 -178.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -63.73 136.46 57.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.098 178.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.5 pttm . . . . . 0 C--N 1.324 -0.54 0 CA-C-O 120.724 0.297 . . . . 0.0 110.427 178.92 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.452 HD11 ' N ' ' A' ' 4' ' ' ILE . 4.1 mp . . . . . 0 N--CA 1.455 -0.188 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.417 ' HB2' ' HB2' ' A' ' 8' ' ' ARG . 58.3 mm-40 -133.58 155.36 49.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.558 -175.362 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.9 m -76.28 125.28 35.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 174.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.69 3.67 64.23 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.929 -175.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.53 ' HD2' ' O ' ' A' ' 57' ' ' THR . 5.7 tpp180 -88.89 127.34 35.64 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.955 0.407 . . . . 0.0 110.446 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.449 HG21 ' HE3' ' A' ' 85' ' ' MET . 70.2 mt -76.87 129.12 37.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.521 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.632 ' HA ' ' HA ' ' A' ' 56' ' ' PRO . 44.7 m -114.84 142.55 46.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.254 178.441 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.9 p -128.53 148.53 32.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.364 0.602 . . . . 0.0 110.933 -177.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.601 ' HB3' ' HB2' ' A' ' 20' ' ' SER . 22.3 tptm -92.85 121.64 34.42 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.507 -179.519 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.8 m . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.296 179.601 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.065 -0.414 . . . . 0.0 112.065 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.601 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 15.8 m -115.46 108.72 16.85 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 175.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.43 ' HE2' ' O ' ' A' ' 84' ' ' TYR . 46.8 mttp -125.72 143.22 51.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.958 179.233 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.405 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 77.4 m -148.99 155.92 41.51 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.4 p -117.25 134.96 59.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 120.656 0.265 . . . . 0.0 110.54 178.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 65.3 mt -73.64 109.66 6.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.339 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 63.1 t -88.66 -53.56 9.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.153 -178.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -138.96 140.3 38.22 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.362 -176.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.46 HG21 HG12 ' A' ' 33' ' ' VAL . 56.4 mt -106.17 110.62 32.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 120.925 0.393 . . . . 0.0 109.953 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.429 HD12 ' HB2' ' A' ' 34' ' ' LEU . 4.5 mp -94.98 -65.91 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.09 -178.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.756 ' HB2' ' HB2' ' A' ' 32' ' ' PHE . 5.7 m-20 -94.92 -176.64 3.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.746 179.419 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -71.11 -41.76 70.15 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.94 -176.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -112.91 -25.44 9.01 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.816 0.341 . . . . 0.0 110.816 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.756 ' HB2' ' HB2' ' A' ' 29' ' ' ASP . 65.7 m-85 -84.05 105.11 14.66 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.213 0.53 . . . . 0.0 111.285 178.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.46 HG12 HG21 ' A' ' 27' ' ' ILE . 31.6 m -111.32 161.75 9.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.372 178.476 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.429 ' HB2' HD12 ' A' ' 28' ' ' ILE . 6.3 tt -98.05 116.79 30.99 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 177.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.405 ' HB ' ' HB3' ' A' ' 22' ' ' CYS . 35.4 m -118.17 160.75 17.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.255 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.6 t -145.23 148.43 33.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.983 0.42 . . . . 0.0 110.392 177.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -107.4 102.11 1.77 Allowed Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 109.925 -1.27 . . . . 0.0 109.925 171.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.629 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 56.8 Cg_exo -36.45 123.97 0.35 Allowed 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 124.455 3.437 . . . . 0.0 113.971 -171.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.3 tptt -54.22 -47.92 71.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.463 -0.789 . . . . 0.0 112.435 -173.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -86.93 -0.43 56.53 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -174.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.629 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 4.6 mp -122.08 -69.52 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.272 -175.189 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.8 m -84.53 -37.16 21.6 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.872 0.368 . . . . 0.0 110.56 -177.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.4 44.78 57.74 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.941 176.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.9 t -104.4 -95.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 O-C-N 122.701 -0.294 . . . . 0.0 110.261 178.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.437 ' HG3' ' H ' ' A' ' 46' ' ' ARG . 13.7 tptm 174.8 179.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 -178.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.437 ' H ' ' HG3' ' A' ' 45' ' ' LYS . 22.9 ptt180 -118.34 145.82 44.83 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 176.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -172.47 172.36 4.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 123.211 0.319 . . . . 0.0 110.326 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.0 mtm180 -94.17 142.9 26.88 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 172.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.1 p -150.56 145.92 16.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 120.956 0.408 . . . . 0.0 110.543 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -86.86 109.05 19.04 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.363 0.601 . . . . 0.0 110.029 175.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.5 pt -78.21 82.27 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.627 0.727 . . . . 0.0 110.696 -178.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 44.6 tp -106.85 -31.96 8.14 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.227 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 46.3 m-70 -122.14 21.95 10.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.992 0.425 . . . . 0.0 111.019 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.2 mp -117.45 135.27 54.02 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -117.13 121.08 32.89 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-O 120.967 0.413 . . . . 0.0 111.16 -176.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.632 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 17.5 Cg_exo -68.61 151.59 74.99 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 123.374 2.716 . . . . 0.0 112.988 176.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.53 ' O ' ' HD2' ' A' ' 8' ' ' ARG . 37.5 p -85.41 178.12 7.55 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.602 177.016 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -85.56 -17.76 35.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.797 0.332 . . . . 0.0 110.594 178.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -85.23 144.97 27.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.073 0.463 . . . . 0.0 110.467 175.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.98 157.48 44.51 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.999 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.44 HG13 HG12 ' A' ' 63' ' ' ILE . 26.2 pt -96.46 143.22 12.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 172.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -86.09 46.57 1.34 Allowed 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.132 0.492 . . . . 0.0 111.688 -168.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.447 HD11 ' HB3' ' A' ' 67' ' ' ALA . 48.0 pt -89.74 -172.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.372 177.029 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -122.37 178.25 5.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.798 0.333 . . . . 0.0 111.066 -179.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -69.6 108.81 4.0 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.416 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.34 44.71 3.42 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.142 -178.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.447 ' HB3' HD11 ' A' ' 63' ' ' ILE . . . -93.58 125.97 38.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.68 0.276 . . . . 0.0 110.363 177.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.9 p -67.41 166.8 13.83 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.722 -176.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.401 ' OD2' ' HA ' ' A' ' 38' ' ' PRO . 10.3 t70 -59.69 -30.66 68.93 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.3 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -58.24 -47.49 83.38 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.368 176.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -68.07 -42.71 80.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.473 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.8 t -61.64 -46.76 95.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.506 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -56.87 -49.09 76.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.848 177.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.92 -51.25 70.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.444 178.47 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.456 ' HD2' ' HA ' ' A' ' 75' ' ' LYS . 32.5 tptt -64.71 -36.76 85.31 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.307 -175.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.404 HD21 ' HA ' ' A' ' 76' ' ' LEU . 32.7 mt -60.57 -40.49 91.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.349 . . . . 0.0 110.762 177.071 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -72.61 -50.89 22.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.926 176.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -59.69 -50.36 74.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.336 -175.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.1 m -84.03 -5.77 59.29 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.979 -175.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 18.6 m120 65.41 48.53 2.06 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.043 0.449 . . . . 0.0 111.249 177.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -122.51 17.41 10.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.713 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.5 t -77.15 -39.21 49.99 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -172.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -55.84 -47.03 77.96 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.738 -176.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.43 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 65.8 t80 -61.53 -31.93 71.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.432 -176.283 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.449 ' HE3' HG21 ' A' ' 9' ' ' ILE . 1.8 mmt -77.71 -20.81 52.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.73 0.3 . . . . 0.0 111.595 -178.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -100.12 -33.91 10.27 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.139 -174.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -71.97 123.4 22.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.854 0.359 . . . . 0.0 111.356 -178.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.454 ' HZ1' ' HB2' ' A' ' 88' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.332 -0.195 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.888 173.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.421 HG22 HD12 ' A' ' 24' ' ' ILE . 47.0 mm . . . . . 0 C--O 1.233 0.201 0 CA-C-O 121.655 0.74 . . . . 0.0 109.024 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -119.61 150.13 40.81 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.466 -172.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.402 HG12 ' HG2' ' A' ' 65' ' ' LYS . 16.4 m -69.49 115.98 9.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.523 0.678 . . . . 0.0 110.139 175.468 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.49 13.33 41.73 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.393 -0.908 . . . . 0.0 112.671 -178.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -105.88 120.03 40.7 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 174.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.4 mt -69.01 137.0 25.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.55 -174.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 23.3 m -134.16 124.72 26.53 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.382 0.61 . . . . 0.0 110.282 176.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.4 p -88.61 151.84 3.44 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.94 -175.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.593 ' N ' ' HE2' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -83.96 104.22 13.85 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.755 -179.405 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.3 p . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 121.154 0.502 . . . . 0.0 110.394 178.268 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.396 0 N-CA-C 111.427 -0.669 . . . . 0.0 111.427 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.449 ' HG ' ' HB2' ' A' ' 12' ' ' LYS . 1.3 p -71.39 100.23 2.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.339 0.59 . . . . 0.0 110.836 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -107.59 141.72 38.62 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.595 -177.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.474 ' SG ' ' HE3' ' A' ' 12' ' ' LYS . 73.4 m -148.95 156.74 42.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.021 178.158 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.4 p -119.69 143.5 31.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.333 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.421 HD12 HG22 ' A' ' 4' ' ' ILE . 65.3 mt -78.98 118.77 26.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 176.484 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.8 m -107.86 -28.64 2.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.914 -177.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -153.79 142.81 21.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.873 0.368 . . . . 0.0 110.736 -178.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.48 HG22 HG11 ' A' ' 33' ' ' VAL . 48.6 mt -102.5 109.13 25.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 178.115 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.547 HG13 ' HD3' ' A' ' 48' ' ' ARG . 40.6 mm -78.4 -64.29 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.105 0.479 . . . . 0.0 110.909 -176.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.433 ' CG ' ' H ' ' A' ' 30' ' ' ASP . 8.3 t70 -108.11 -159.41 0.69 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 -177.383 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.433 ' H ' ' CG ' ' A' ' 29' ' ' ASP . 25.8 t70 -80.75 -32.71 35.51 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.43 0.633 . . . . 0.0 109.354 176.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -114.86 -37.32 4.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.755 178.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.41 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 55.1 m-85 -72.24 104.59 3.73 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-O 121.097 0.475 . . . . 0.0 111.308 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.48 HG11 HG22 ' A' ' 27' ' ' ILE . 28.2 m -108.03 154.05 9.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.17 176.408 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.493 HD11 ' HD2' ' A' ' 46' ' ' ARG . 1.8 tm? -96.42 115.79 28.0 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 29.6 m -122.71 147.0 27.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.241 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.514 ' HB ' ' HB3' ' A' ' 46' ' ' ARG . 9.1 t -149.35 153.9 38.13 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.727 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.531 ' HA3' ' HB ' ' A' ' 44' ' ' VAL . . . -104.68 111.28 3.75 Favored Glycine 0 N--CA 1.441 -1.009 0 N-CA-C 110.441 -1.063 . . . . 0.0 110.441 172.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.888 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 74.7 Cg_exo -24.23 114.62 0.03 OUTLIER 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 125.263 3.976 . . . . 0.0 114.605 -173.694 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -48.14 -54.23 14.02 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 114.827 -1.079 . . . . 0.0 112.25 -173.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -102.38 28.35 6.01 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.508 0.67 . . . . 0.0 111.168 -175.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.888 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 69.1 mt -121.92 -53.9 3.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 172.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.67 HG23 ' H2 ' ' A' ' 43' ' ' GLY . 1.8 t -115.54 -67.89 0.96 Allowed 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 172.054 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.67 ' H2 ' HG23 ' A' ' 42' ' ' THR . . . 118.69 63.92 0.29 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.527 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.531 ' HB ' ' HA3' ' A' ' 37' ' ' GLY . 60.8 t -121.18 111.01 29.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 179.516 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -52.14 130.92 31.54 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.167 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.514 ' HB3' ' HB ' ' A' ' 36' ' ' THR . 27.3 ptt180 -71.84 134.11 45.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.186 -176.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 46.4 mtm180 -141.42 170.49 15.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.608 178.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.547 ' HD3' HG13 ' A' ' 28' ' ' ILE . 43.0 mtm180 -102.18 131.28 48.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.5 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 32' ' ' PHE . 7.1 p -129.65 142.03 44.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.975 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -88.45 31.0 0.84 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.637 -175.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 64.6 mt 59.1 91.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.547 0.689 . . . . 0.0 110.888 -175.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.1 tt -173.61 -42.11 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.279 -176.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -89.52 13.07 14.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.492 -177.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -153.63 154.01 33.38 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.703 0.287 . . . . 0.0 111.357 -176.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -127.94 141.51 41.42 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.086 173.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -59.76 129.06 29.08 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.57 2.18 . . . . 0.0 111.47 175.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.3 m -98.96 163.18 12.7 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 -174.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -56.45 -32.85 65.32 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.118 -0.946 . . . . 0.0 112.724 -176.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.5 ' HD2' ' N ' ' A' ' 59' ' ' LYS . 3.6 mptp? -93.28 135.84 34.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.301 0.572 . . . . 0.0 111.798 -172.229 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.764 ' HE2' ' HB2' ' A' ' 62' ' ' ASP . 81.9 tttt -139.61 125.55 19.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.874 178.341 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.431 HG22 HD21 ' A' ' 76' ' ' LEU . 12.7 pt -92.92 -31.05 4.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.767 0.318 . . . . 0.0 110.648 177.418 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.764 ' HB2' ' HE2' ' A' ' 60' ' ' LYS . 33.2 t70 64.52 112.98 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.854 -1.066 . . . . 0.0 111.592 178.276 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.787 HG22 ' HG2' ' A' ' 75' ' ' LYS . 22.5 pt -128.47 -179.32 2.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.985 -176.162 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -92.07 168.77 11.14 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.668 174.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' A' ' 66' ' ' GLY . 0.1 OUTLIER -85.62 132.44 34.17 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.477 ' N ' ' HD2' ' A' ' 65' ' ' LYS . . . 114.38 36.64 1.3 Allowed Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 -173.323 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.403 ' HB1' HD11 ' A' ' 63' ' ' ILE . . . -87.16 145.83 26.26 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.421 0.629 . . . . 0.0 112.181 -171.496 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.41 ' H ' ' HB3' ' A' ' 71' ' ' GLU . 57.8 p -126.81 -174.04 3.04 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.427 175.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -63.59 -25.44 68.23 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.315 0.578 . . . . 0.0 109.682 174.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -71.33 -52.9 16.23 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.404 176.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.478 ' CD ' ' HZ2' ' A' ' 75' ' ' LYS . 5.1 tp10 -58.94 -47.98 83.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.697 -177.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.44 HG13 ' HG3' ' A' ' 38' ' ' PRO . 64.5 t -60.49 -43.51 94.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.767 0.318 . . . . 0.0 110.553 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.635 ' HZ3' ' HB2' ' A' ' 73' ' ' LYS . 4.2 ttmp? -68.71 -37.77 79.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.108 0.48 . . . . 0.0 110.066 179.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -56.7 -53.8 53.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.754 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.787 ' HG2' HG22 ' A' ' 63' ' ' ILE . 14.1 mptt -65.83 -39.51 90.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.439 -179.17 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.431 HD21 HG22 ' A' ' 61' ' ' ILE . 69.4 mt -64.19 -42.74 96.52 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.63 0.253 . . . . 0.0 110.752 177.48 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -64.44 -47.28 79.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.62 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -57.93 -35.77 71.55 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.945 -179.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.5 t -94.1 -1.39 54.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.171 -179.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.5 t30 55.96 37.53 28.96 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.37 0.605 . . . . 0.0 110.128 -177.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.5 3.37 21.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.021 -176.067 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.5 m -59.14 -31.48 69.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.085 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.43 ' O ' ' HB2' ' A' ' 87' ' ' GLU . 32.2 tt0 -54.47 -51.02 66.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.366 -179.191 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -63.32 -32.45 73.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.593 -175.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 13.5 tpt -76.2 -26.72 56.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.132 0.492 . . . . 0.0 110.308 -178.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -98.6 -0.65 42.67 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.78 -178.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -87.96 162.34 16.92 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.728 -174.559 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt . . . . . 0 N--CA 1.455 -0.195 0 C-N-CA 123.801 0.84 . . . . 0.0 110.883 -176.777 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.8 mm . . . . . 0 CA--C 1.527 0.082 0 CA-C-O 121.401 0.62 . . . . 0.0 110.106 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -152.13 169.51 22.24 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 -178.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.542 HG21 ' HA ' ' A' ' 65' ' ' LYS . 34.3 m -54.77 145.59 4.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.475 0.655 . . . . 0.0 112.163 -176.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.429 ' HA2' HG12 ' A' ' 63' ' ' ILE . . . 99.63 -23.2 37.11 Favored Glycine 0 N--CA 1.443 -0.856 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.915 175.686 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -100.37 138.88 36.84 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 117.414 0.607 . . . . 0.0 110.091 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.451 HG13 HG23 ' A' ' 23' ' ' VAL . 4.1 mp -86.42 142.32 13.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.243 -177.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.5 p -126.61 144.88 50.76 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.99 0.424 . . . . 0.0 110.147 176.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -116.76 138.53 47.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.434 0.635 . . . . 0.0 110.775 -179.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -72.26 138.53 47.52 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.452 -179.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.8 m . . . . . 0 C--N 1.325 -0.474 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.847 -179.685 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.647 0 N-CA-C 112.063 -0.415 . . . . 0.0 112.063 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.468 ' HB3' HG12 ' A' ' 44' ' ' VAL . 37.9 m -86.46 96.84 10.18 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.096 0.474 . . . . 0.0 110.834 -177.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm -81.54 128.76 34.25 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.186 176.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.428 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 18.2 m -116.72 148.24 41.27 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.811 0.339 . . . . 0.0 110.734 -175.096 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.451 HG23 HG13 ' A' ' 9' ' ' ILE . 47.7 t -106.19 130.0 58.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.168 177.48 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.453 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 46.2 mt -73.53 117.31 17.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 176.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.9 m -119.36 -22.01 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -175.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.525 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 27.0 t70 -155.41 139.08 16.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.821 0.343 . . . . 0.0 111.302 -176.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.3 mp -116.45 112.29 38.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.843 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.411 HD12 ' N ' ' A' ' 28' ' ' ILE . 4.0 mp -85.73 -57.63 4.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.715 -175.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.531 ' CG ' ' H ' ' A' ' 30' ' ' ASP . 11.7 t70 -128.97 -161.35 1.1 Allowed 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 -176.252 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.531 ' H ' ' CG ' ' A' ' 29' ' ' ASP . 38.5 t70 -83.28 -28.49 29.08 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.284 0.564 . . . . 0.0 110.009 -178.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.459 ' O ' ' HA ' ' A' ' 50' ' ' ASN . 14.5 m120 -108.51 -31.55 7.75 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.421 176.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -92.24 120.4 32.77 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.049 -172.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.24 164.56 34.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.019 -178.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.525 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . 62.0 tp -117.01 116.93 28.32 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.06 0.457 . . . . 0.0 110.286 178.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.428 ' HB ' ' HB3' ' A' ' 22' ' ' CYS . 22.7 m -121.1 146.41 26.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.681 176.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.1 t -138.64 143.93 39.46 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.133 0.492 . . . . 0.0 110.795 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.539 ' HA3' ' HB ' ' A' ' 44' ' ' VAL . . . -113.11 103.8 1.45 Allowed Glycine 0 N--CA 1.442 -0.951 0 N-CA-C 110.134 -1.186 . . . . 0.0 110.134 172.258 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -26.44 112.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 125.26 3.973 . . . . 0.0 114.256 -171.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.483 ' HA ' ' HA2' ' A' ' 43' ' ' GLY . 15.5 ptpt -66.28 -23.33 66.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.815 -177.107 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -77.3 -29.27 53.62 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.781 -179.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 59.9 mt -105.82 -74.79 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.395 -177.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.8 m -83.37 -46.15 12.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.522 -173.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.483 ' HA2' ' HA ' ' A' ' 39' ' ' LYS . . . 80.51 58.66 2.67 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.356 -0.926 . . . . 0.0 111.787 -177.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.539 ' HB ' ' HA3' ' A' ' 37' ' ' GLY . 90.6 t -91.53 138.19 20.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 179.554 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -62.61 97.59 0.1 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.407 HH12 ' HB2' ' A' ' 69' ' ' ASP . 10.0 ptm180 -84.1 144.55 28.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.489 -176.002 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 45.1 ttt-85 -172.54 151.33 2.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.46 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -72.04 116.75 12.82 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 171.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 31.5 m -128.47 -178.97 2.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 120.89 0.376 . . . . 0.0 111.173 -174.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.459 ' HA ' ' O ' ' A' ' 31' ' ' ASN . 21.4 p-10 -105.56 145.46 30.92 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.243 177.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.9 tt -76.99 87.29 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.968 0.89 . . . . 0.0 109.891 177.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.3 tp -118.78 -57.73 2.02 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.571 -178.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -124.29 62.93 1.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.306 0.574 . . . . 0.0 111.482 -174.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.1 pp -150.17 147.44 27.73 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.04 173.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -126.12 142.3 42.17 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-O 120.888 0.375 . . . . 0.0 110.007 176.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.58 145.81 29.94 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.739 2.293 . . . . 0.0 113.228 -175.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.3 m -86.81 160.08 18.89 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.557 177.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -62.12 -44.25 97.06 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -175.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.406 ' HD2' ' N ' ' A' ' 59' ' ' LYS . 2.6 mptp? -76.39 155.82 33.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.252 0.549 . . . . 0.0 111.632 -170.14 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.472 ' HE2' ' HA ' ' A' ' 62' ' ' ASP . 85.9 tttt -137.91 126.98 24.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.479 178.038 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.4 pt -79.34 -20.87 12.48 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.309 0 CA-C-O 121.342 0.592 . . . . 0.0 110.555 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.472 ' HA ' ' HE2' ' A' ' 60' ' ' LYS . 21.5 t70 66.36 97.79 0.05 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 113.995 -1.457 . . . . 0.0 112.223 175.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.66 HG23 ' HG3' ' A' ' 75' ' ' LYS . 37.0 pt -129.51 170.93 17.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 114.745 -1.116 . . . . 0.0 108.431 174.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -91.77 154.99 18.57 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.231 0.539 . . . . 0.0 110.57 179.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.542 ' HA ' HG21 ' A' ' 6' ' ' VAL . 20.7 ttpt -71.28 103.3 2.8 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.975 -172.331 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.38 48.02 0.62 Allowed Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.498 -176.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -95.4 -173.96 3.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.882 0.373 . . . . 0.0 111.161 -176.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.479 ' O ' HG22 ' A' ' 72' ' ' VAL . 6.7 m -115.65 153.98 30.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.227 -179.456 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.407 ' HB2' HH12 ' A' ' 46' ' ' ARG . 14.8 t70 -59.55 -43.17 93.63 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.302 0.572 . . . . 0.0 109.941 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -53.25 -51.16 63.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.793 174.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -63.52 -38.71 92.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.588 -1.187 . . . . 0.0 111.073 -176.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.479 HG22 ' O ' ' A' ' 68' ' ' SER . 87.3 t -62.02 -41.54 91.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.564 177.317 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt -64.43 -38.96 92.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.836 178.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.42 ' O ' ' HG3' ' A' ' 78' ' ' GLU . 93.4 mttt -67.08 -36.89 82.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.845 177.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.66 ' HG3' HG23 ' A' ' 63' ' ' ILE . 60.0 mmtt -64.15 -31.15 72.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.77 0.319 . . . . 0.0 111.102 174.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 92.9 mt -68.86 -38.78 79.96 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 173.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -64.86 -47.86 76.37 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.248 177.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 66.5 mt-10 -61.4 -34.5 75.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.392 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.0 t -88.76 -3.7 58.7 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.065 179.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 59.17 30.79 20.63 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.508 0.671 . . . . 0.0 110.55 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.4 tp -94.9 12.74 27.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.52 -174.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.9 m -55.77 -47.92 76.2 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.175 -176.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -62.55 -48.73 78.22 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 121.236 0.541 . . . . 0.0 111.025 -177.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -63.56 -22.83 67.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.205 -176.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.88 -24.93 35.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.742 0.306 . . . . 0.0 110.619 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -71.01 -35.85 72.21 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-O 121.047 0.451 . . . . 0.0 110.812 178.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -61.76 127.31 30.81 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.505 -0.77 . . . . 0.0 112.072 -174.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt . . . . . 0 C--N 1.321 -0.661 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.216 -178.154 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.3 mp . . . . . 0 N--CA 1.463 0.21 0 CA-C-O 121.646 0.736 . . . . 0.0 110.505 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -144.1 170.41 16.0 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.833 -178.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.9 m -80.48 114.18 21.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.574 0.702 . . . . 0.0 110.003 175.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.19 7.96 32.0 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.28 -177.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -84.19 103.01 13.04 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 177.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.512 HG12 HG22 ' A' ' 23' ' ' VAL . 55.4 mt -71.27 117.82 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.287 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.434 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . 44.6 m -115.75 142.51 46.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.736 -176.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.7 p -90.41 149.35 4.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.411 -178.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 20' ' ' SER . 1.9 tppp? -84.97 54.46 3.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.57 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 115.604 -0.726 . . . . 0.0 112.031 -172.912 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.458 ' CA ' ' HB2' ' A' ' 88' ' ' LYS . . . . . . . . 0 N--CA 1.445 -0.734 0 N-CA-C 112.696 -0.162 . . . . 0.0 112.696 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.478 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 3.4 p -76.66 90.4 3.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.429 0.633 . . . . 0.0 111.2 -179.107 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -80.08 149.09 30.77 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.123 179.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.429 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 57.9 m -133.06 147.32 52.19 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.0 0.429 . . . . 0.0 109.945 -179.49 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.512 HG22 HG12 ' A' ' 9' ' ' ILE . 46.7 t -110.01 129.5 64.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.639 -179.016 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.542 ' HA ' HG11 ' A' ' 35' ' ' VAL . 57.6 mt -68.46 103.44 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 174.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 23' ' ' VAL . 92.4 t -104.16 -34.8 3.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.346 -173.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.492 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 3.7 t70 -142.79 165.3 27.77 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.886 0.374 . . . . 0.0 110.257 -178.391 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.2 mm -124.36 110.86 26.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.109 -174.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.444 HG21 ' NH2' ' A' ' 48' ' ' ARG . 43.7 mm -80.72 -59.03 3.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 177.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.515 ' OD2' ' HB2' ' A' ' 32' ' ' PHE . 3.7 p30 -137.99 -167.24 2.11 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 170.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -82.32 -11.57 58.52 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.786 0.327 . . . . 0.0 111.775 -171.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -115.76 -49.06 2.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.934 0.397 . . . . 0.0 110.399 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.515 ' HB2' ' OD2' ' A' ' 29' ' ' ASP . 36.2 m-85 -88.3 113.06 23.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.947 176.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.0 m -108.94 164.23 5.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 -178.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.492 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . 52.5 tp -103.17 114.5 28.84 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.542 HG11 ' HA ' ' A' ' 24' ' ' ILE . 27.0 m -120.0 147.73 23.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.334 178.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.415 HG23 HG22 ' A' ' 25' ' ' VAL . 9.0 t -140.95 140.3 34.4 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.147 0.499 . . . . 0.0 110.821 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.557 ' HA3' ' HB ' ' A' ' 44' ' ' VAL . . . -101.56 110.75 3.92 Favored Glycine 0 N--CA 1.439 -1.106 0 N-CA-C 110.071 -1.212 . . . . 0.0 110.071 171.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.627 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 61.3 Cg_exo -37.29 123.08 0.44 Allowed 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 123.956 3.104 . . . . 0.0 113.042 -175.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.617 ' HA ' ' HA2' ' A' ' 43' ' ' GLY . 21.8 ptmt -58.44 -26.67 63.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.438 -171.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -89.99 -44.46 9.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.213 0.53 . . . . 0.0 110.598 178.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.627 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 72.2 mt -70.87 -53.38 22.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.721 -173.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.0 p -124.19 -38.06 2.49 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.894 0.378 . . . . 0.0 111.644 -177.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.617 ' HA2' ' HA ' ' A' ' 39' ' ' LYS . . . 77.36 40.84 22.58 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.897 177.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.557 ' HB ' ' HA3' ' A' ' 37' ' ' GLY . 23.3 t -90.34 -23.12 6.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.004 0.431 . . . . 0.0 110.345 179.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 36' ' ' THR . 56.5 mttp 69.35 -178.66 0.22 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.982 -179.45 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.419 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 8.6 ptp85 -98.17 144.68 27.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.906 -177.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -173.5 166.09 4.65 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.034 176.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.444 ' NH2' HG21 ' A' ' 28' ' ' ILE . 60.6 mtt180 -82.23 118.96 23.5 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 176.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 45.2 t -123.44 -5.58 7.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.635 0.731 . . . . 0.0 110.044 -178.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 59.32 178.09 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.629 -1.169 . . . . 0.0 111.306 -176.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.1 pt -96.6 15.48 2.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.322 0.582 . . . . 0.0 110.423 175.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.8 mp -95.31 -9.09 34.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.325 -176.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -122.2 5.97 9.72 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.683 178.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.434 ' HB3' ' CB ' ' A' ' 10' ' ' CYS . 92.8 mt -120.24 132.85 55.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.192 0.52 . . . . 0.0 111.061 -175.023 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -122.7 118.76 28.36 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 175.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -66.03 134.16 35.96 Favored 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.588 2.192 . . . . 0.0 112.512 -178.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 81.6 p -88.24 -171.03 3.2 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.892 0.377 . . . . 0.0 110.492 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -88.19 -3.86 58.81 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.487 177.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.554 ' HB3' HD22 ' A' ' 81' ' ' LEU . 14.0 mptt -103.01 140.15 37.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.648 174.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.407 ' HE2' ' HB2' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -147.86 156.94 43.25 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.112 179.712 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.632 HG23 HD12 ' A' ' 76' ' ' LEU . 32.4 pt -116.68 172.15 4.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.691 0.282 . . . . 0.0 110.734 177.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -117.5 95.15 4.82 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.545 -176.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.6 pt -132.4 170.73 19.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.781 0.324 . . . . 0.0 110.989 -179.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -97.41 160.13 14.51 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.138 178.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -65.94 105.1 1.24 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.058 176.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 107.25 61.91 0.57 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.154 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -114.5 154.87 27.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.72 0.295 . . . . 0.0 110.827 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 32.4 m -105.15 -178.43 3.65 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.412 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -52.18 -51.99 54.74 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.865 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -60.91 -37.58 82.76 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -178.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -69.02 -47.64 64.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.907 0.384 . . . . 0.0 110.048 -178.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 94.8 t -61.86 -45.63 98.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.052 176.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.435 ' HB2' ' HE3' ' A' ' 73' ' ' LYS . 34.7 ttmt -55.83 -45.4 78.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.999 178.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.445 ' O ' ' HG2' ' A' ' 78' ' ' GLU . 13.4 mptt -63.28 -47.34 82.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.409 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.457 ' HD3' ' HA ' ' A' ' 75' ' ' LYS . 28.1 mmtp -68.68 -29.87 68.42 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.809 0.299 . . . . 0.0 111.809 -179.001 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.632 HD12 HG23 ' A' ' 61' ' ' ILE . 5.1 mp -64.82 -43.67 92.37 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 171.269 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -64.03 -44.94 91.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.456 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 16.3 mm-40 -52.99 -41.88 65.02 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.507 177.177 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.3 m -90.39 -5.57 55.99 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.401 -176.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 14.8 m120 60.13 33.08 21.15 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.349 0.595 . . . . 0.0 110.279 -175.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.554 HD22 ' HB3' ' A' ' 59' ' ' LYS . 30.6 tp -103.73 1.6 31.98 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.867 -174.236 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.6 ' HA ' HD23 ' A' ' 76' ' ' LEU . 10.7 m -54.03 -42.16 68.85 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.701 -178.54 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -58.1 -51.8 68.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.455 -177.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -64.77 -23.26 67.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.223 -176.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -88.9 -41.59 12.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.368 -179.228 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 54.9 tttp -68.68 -46.97 67.68 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 123.291 0.369 . . . . 0.0 111.83 -175.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -74.59 123.78 25.46 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.458 ' HB2' ' CA ' ' A' ' 19' ' ' GLY . 65.7 pttt . . . . . 0 C--N 1.327 -0.392 0 CA-C-O 121.106 0.479 . . . . 0.0 111.461 -174.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.0 mtp . . . . . 0 N--CA 1.484 1.245 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.01 103.93 0.18 Allowed 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.921 2.414 . . . . 0.0 112.732 -177.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -164.4 112.01 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.153 -0.93 . . . . 0.0 108.536 178.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.427 ' O ' HG21 ' A' ' 4' ' ' ILE . 38.9 mm 57.16 45.57 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 122.642 1.211 . . . . 0.0 108.423 -168.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -161.74 173.45 14.62 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.0 -1.455 . . . . 0.0 108.217 -176.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.525 HG12 ' HA ' ' A' ' 65' ' ' LYS . 34.7 m -55.43 148.03 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.18 0.514 . . . . 0.0 111.86 -178.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.26 -35.13 4.32 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.967 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.409 ' HD2' ' HA ' ' A' ' 8' ' ' ARG . 6.7 tpt180 -83.05 124.8 30.78 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.794 0.331 . . . . 0.0 110.743 -177.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.487 HD12 HG23 ' A' ' 61' ' ' ILE . 56.7 mt -86.06 142.97 12.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.665 -178.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.493 ' HA ' ' HA ' ' A' ' 56' ' ' PRO . 8.7 p -128.41 163.15 25.5 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.082 178.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.8 p -145.98 151.49 14.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.61 -176.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.505 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 91.0 mttt -66.02 100.48 0.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 174.104 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.34 -37.97 81.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.212 -178.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.612 ' HD2' ' HE1' ' A' ' 53' ' ' HIS . 61.1 mttp -142.13 143.6 33.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.0 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 145.06 -51.0 0.62 Allowed Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 -178.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -157.34 55.69 0.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 173.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.496 ' HG2' ' HE3' ' A' ' 90' ' ' LYS . 1.6 mp0 66.54 -83.39 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 114.49 -1.232 . . . . 0.0 112.08 -179.445 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -162.91 36.01 0.1 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.078 0.466 . . . . 0.0 110.912 -176.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -86.06 25.92 6.53 Favored Glycine 0 CA--C 1.521 0.433 0 C-N-CA 120.57 -0.824 . . . . 0.0 114.008 -175.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.505 ' HB2' ' HD2' ' A' ' 12' ' ' LYS . 32.2 m -156.73 124.01 5.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 117.424 0.612 . . . . 0.0 110.909 177.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -122.14 137.3 54.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.767 177.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 57.3 m -144.15 160.67 40.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.938 0.399 . . . . 0.0 111.339 -174.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.0 p -129.29 147.54 33.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.117 175.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.518 HG12 HG11 ' A' ' 35' ' ' VAL . 62.9 mt -83.72 129.92 36.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.2 p -113.6 -35.43 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.699 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -132.59 131.44 41.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.146 0.498 . . . . 0.0 110.836 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.1 mp -106.54 123.08 61.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.293 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.406 HD12 ' N ' ' A' ' 28' ' ' ILE . 3.8 mp -92.38 -43.5 13.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 177.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -160.5 -163.62 1.11 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.435 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.07 -32.28 72.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.784 0.326 . . . . 0.0 111.435 -179.274 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -101.85 -45.98 5.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.974 178.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -77.82 107.86 10.64 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.122 -174.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.7 m -132.3 150.81 33.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.996 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 tp -105.57 116.5 32.04 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.204 177.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.518 HG11 HG12 ' A' ' 24' ' ' ILE . 27.0 m -106.81 144.18 16.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.173 178.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.6 t -151.37 176.44 11.26 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.321 -177.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.505 ' HA3' ' HB ' ' A' ' 44' ' ' VAL . . . -146.51 179.02 23.8 Favored Glycine 0 N--CA 1.443 -0.834 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 176.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.77 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 23.4 Cg_exo -63.65 114.28 2.49 Favored 'Trans proline' 0 C--O 1.238 0.5 0 C-N-CA 122.576 2.184 . . . . 0.0 111.641 179.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -59.34 -59.57 5.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.01 -175.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -81.0 -15.32 56.54 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.884 -173.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.77 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 67.6 mt -88.58 -60.45 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.327 -176.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.536 ' HB ' HG21 ' A' ' 44' ' ' VAL . 4.8 m -106.65 -30.62 8.88 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.984 0.421 . . . . 0.0 111.466 -175.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.23 51.41 5.0 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.385 -175.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.536 HG21 ' HB ' ' A' ' 42' ' ' THR . 57.8 t -93.47 115.34 32.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.97 0.414 . . . . 0.0 110.454 -179.103 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -68.88 127.74 34.2 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.427 178.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -78.75 142.89 36.66 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.1 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -148.31 144.67 27.74 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.171 0.51 . . . . 0.0 110.882 178.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -102.02 115.47 30.61 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.773 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.4 m -125.61 169.34 17.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.445 -176.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -103.01 28.79 5.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.954 176.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 61.3 mt 56.16 82.03 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.592 -173.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 60.0 tp -83.97 -55.12 4.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.98 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.612 ' HE1' ' HD2' ' A' ' 14' ' ' LYS . 9.7 t-160 -158.31 74.51 0.7 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 177.126 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 54.0 tp -136.7 126.75 26.06 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.305 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.44 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 34.8 mt-10 -124.88 130.47 24.22 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-O 120.626 0.25 . . . . 0.0 110.513 -176.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.493 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 12.4 Cg_exo -70.53 152.72 65.53 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.842 2.361 . . . . 0.0 112.643 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.3 t -99.48 -167.56 1.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.907 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -84.66 -26.03 28.07 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.808 -175.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -77.15 149.26 35.63 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.467 0.651 . . . . 0.0 112.096 -172.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.458 ' HB3' ' HE2' ' A' ' 60' ' ' LYS . 15.8 ttpt -141.15 140.16 34.03 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.046 -177.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.487 HG23 HD12 ' A' ' 9' ' ' ILE . 27.1 pt -100.52 160.53 3.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 175.295 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -97.71 89.96 4.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.8 0.333 . . . . 0.0 110.639 -175.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 45.7 pt -141.57 173.09 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.172 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -108.51 175.35 5.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.262 177.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.525 ' HA ' HG12 ' A' ' 6' ' ' VAL . 29.7 ttpt -83.52 115.36 22.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.12 0.486 . . . . 0.0 110.677 -178.146 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 108.98 52.76 0.64 Allowed Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -176.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -104.66 178.96 4.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.243 0.544 . . . . 0.0 111.309 -175.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.456 ' H ' ' HB3' ' A' ' 71' ' ' GLU . 78.0 p -129.8 174.38 9.78 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.804 178.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -59.79 -39.23 84.23 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.953 173.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -58.34 -52.46 65.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.52 176.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.456 ' HB3' ' H ' ' A' ' 68' ' ' SER . 36.9 tp10 -54.99 -55.1 34.65 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.735 -1.12 . . . . 0.0 111.191 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 98.4 t -59.86 -43.4 91.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.012 -177.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -60.94 -44.64 96.96 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -178.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -70.19 -44.63 68.32 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.362 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 75' ' ' LYS . 30.0 mmtp -70.17 -31.61 69.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.877 0.37 . . . . 0.0 111.195 -178.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 29.7 tp -70.58 -40.59 73.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.74 175.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -58.19 -50.96 71.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.448 178.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -58.28 -40.77 82.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.403 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.3 m -77.94 -2.9 39.17 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.646 -177.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 63.9 18.85 11.44 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.53 0.681 . . . . 0.0 111.342 176.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 28.2 tp -96.57 5.89 49.85 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.324 0.583 . . . . 0.0 110.226 -176.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.4 t -62.2 -43.27 99.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.773 -177.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -65.04 -40.93 95.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.723 -176.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -63.04 -36.81 84.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.779 177.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 10.2 tpt -78.33 -26.1 46.71 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.112 0.482 . . . . 0.0 110.274 -178.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 44.0 tttp -79.16 -25.71 42.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.592 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -48.34 120.6 3.73 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.416 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -112.68 130.9 55.89 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.787 -177.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.579 HG23 ' HD3' ' A' ' 90' ' ' LYS . 3.6 mp -128.63 145.43 35.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 -178.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.579 ' HD3' HG23 ' A' ' 89' ' ' ILE . 6.1 mptp? 59.11 34.97 23.6 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.272 0.558 . . . . 0.0 111.556 178.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.413 HG12 ' O ' ' A' ' 91' ' ' ILE . 15.2 tt -91.55 33.47 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 122.313 1.054 . . . . 0.0 109.539 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 35.2 ttt180 -81.6 136.3 35.55 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.807 -176.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.453 ' HB2' HD22 ' A' ' 96' ' ' LEU . 62.3 mtt -79.12 145.41 65.03 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.288 177.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -58.64 -37.34 94.79 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.006 2.47 . . . . 0.0 112.248 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.8 t -130.37 133.13 46.17 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.323 179.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.456 HD11 ' OXT' ' A' ' 96' ' ' LEU . 1.9 pp . . . . . 0 C--O 1.247 0.974 0 CA-C-O 118.663 -0.684 . . . . 0.0 110.235 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.643 ' HB2' ' HG2' ' A' ' 5' ' ' GLU . 25.0 mmt . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -63.71 153.95 72.2 Favored 'Trans proline' 0 C--O 1.237 0.426 0 C-N-CA 122.499 2.133 . . . . 0.0 111.564 175.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 71.57 -164.35 0.13 Allowed 'General case' 0 N--CA 1.455 -0.216 0 O-C-N 124.023 0.827 . . . . 0.0 111.257 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.521 HG23 HD13 ' A' ' 24' ' ' ILE . 47.2 mm -87.98 112.45 23.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.166 -0.924 . . . . 0.0 110.899 -177.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.643 ' HG2' ' HB2' ' A' ' 1' ' ' MET . 0.0 OUTLIER -140.43 175.2 9.8 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.08 177.356 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 42.9 t -69.93 127.95 32.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.361 -174.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.87 6.67 63.38 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.571 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.619 ' HB3' HD11 ' A' ' 24' ' ' ILE . 3.4 tpt180 -76.55 133.21 39.77 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.886 0.374 . . . . 0.0 110.722 -179.45 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 50.4 mm -83.98 114.14 24.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 173.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.9 p -116.27 140.49 49.26 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.379 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.8 p -99.6 146.98 7.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.345 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.508 ' HE3' ' HB2' ' A' ' 20' ' ' SER . 9.5 ptpt -76.99 85.74 3.51 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.082 176.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.9 t -60.21 -57.01 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.3 tttm 54.72 -83.44 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 O-C-N 124.099 0.874 . . . . 0.0 111.874 177.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -162.27 -78.41 0.03 OUTLIER Glycine 0 N--CA 1.443 -0.892 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 -178.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.627 ' HA ' ' HE ' ' A' ' 16' ' ' ARG . 2.2 mmp_? -115.94 -10.58 11.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.775 0.322 . . . . 0.0 111.11 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -113.72 114.46 26.4 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.423 ' HA ' ' O ' ' A' ' 12' ' ' LYS . . . -138.85 32.76 2.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.822 -175.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.514 ' HA2' ' HB ' ' A' ' 89' ' ' ILE . . . -90.69 36.62 3.55 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.687 -0.768 . . . . 0.0 113.541 -172.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.508 ' HB2' ' HE3' ' A' ' 12' ' ' LYS . 14.6 m -154.3 152.7 30.58 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 122.345 -0.503 . . . . 0.0 110.552 178.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.2 mptt -119.09 146.44 45.09 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 173.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 51.8 m -122.79 146.31 47.64 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.925 0.393 . . . . 0.0 110.254 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.2 t -108.29 125.78 65.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.122 -179.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.619 HD11 ' HB3' ' A' ' 8' ' ' ARG . 47.3 mt -78.51 96.71 2.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.7 m -98.05 -25.5 4.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -173.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.505 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 25.3 t70 -142.39 134.63 27.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.996 0.426 . . . . 0.0 111.093 -177.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.0 mm -100.24 113.35 35.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.492 177.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 62.9 mt -90.02 -53.86 8.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.091 0.472 . . . . 0.0 110.483 -177.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.496 ' CG ' ' H ' ' A' ' 30' ' ' ASP . 14.4 t70 -133.33 -151.2 0.44 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.496 ' H ' ' CG ' ' A' ' 29' ' ' ASP . 37.2 t70 -74.51 -53.53 9.29 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.751 0.31 . . . . 0.0 111.011 -177.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -107.38 -27.75 10.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.805 175.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.451 ' HB2' ' HB3' ' A' ' 29' ' ' ASP . 67.6 m-85 -70.76 105.07 3.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.527 178.431 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.2 m -122.35 162.69 21.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.847 0.356 . . . . 0.0 110.441 178.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.505 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . 6.4 tt -103.95 116.63 32.6 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 177.358 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 30.2 m -113.65 151.15 15.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.524 -178.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.439 ' HB ' ' HB3' ' A' ' 46' ' ' ARG . 15.3 t -161.95 170.77 18.78 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.798 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -125.49 159.43 20.01 Favored Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 173.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.433 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 51.8 Cg_exo -53.16 122.07 10.52 Favored 'Trans proline' 0 C--O 1.237 0.442 0 C-N-CA 122.469 2.113 . . . . 0.0 111.434 178.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -65.66 -29.27 69.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.977 0.418 . . . . 0.0 110.879 -174.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.849 ' HB3' ' HE2' ' A' ' 73' ' ' LYS . 39.0 t70 -93.61 5.68 50.79 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.013 -175.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.611 HG13 ' HD3' ' A' ' 73' ' ' LYS . 65.1 mt -129.17 -79.39 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.036 0.446 . . . . 0.0 111.182 178.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.92 -40.08 61.06 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.468 -172.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.97 36.41 28.29 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.469 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.3 t -95.35 120.49 44.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 178.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.9 pttt -67.8 141.98 56.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.168 0.509 . . . . 0.0 111.45 -178.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.439 ' HB3' ' HB ' ' A' ' 36' ' ' THR . 10.6 ptm180 -82.36 131.01 35.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.269 -177.364 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -159.37 169.95 22.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.235 177.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -90.42 133.16 35.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.039 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.9 t -136.77 147.4 27.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 178.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -98.14 24.88 6.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.705 0.288 . . . . 0.0 111.453 -177.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.491 ' O ' HG21 ' A' ' 51' ' ' ILE . 17.3 mm 60.49 27.23 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 CA-C-O 121.791 0.805 . . . . 0.0 110.515 -179.491 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.5 tp -42.58 -46.15 4.82 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 114.698 -1.137 . . . . 0.0 112.702 -178.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.69 44.68 1.1 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.232 0.539 . . . . 0.0 110.465 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.482 HD22 ' HA ' ' A' ' 51' ' ' ILE . 3.4 mm? -109.72 159.26 17.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.715 179.002 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -151.91 130.69 6.41 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-O 120.532 0.206 . . . . 0.0 110.607 178.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -67.08 123.29 10.75 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.789 2.326 . . . . 0.0 111.73 176.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.1 p -134.63 143.94 47.58 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.713 -176.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 t70 63.45 -158.14 0.32 Allowed 'General case' 0 C--O 1.236 0.393 0 O-C-N 124.013 0.82 . . . . 0.0 110.799 172.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -78.41 147.97 33.83 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.067 0.46 . . . . 0.0 110.961 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.521 ' HE3' ' OE1' ' A' ' 5' ' ' GLU . 0.0 OUTLIER -118.05 157.39 26.91 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.09 -179.414 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 22.3 pt -86.97 124.11 40.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.144 0.497 . . . . 0.0 110.397 178.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.403 ' HA ' ' HZ3' ' A' ' 60' ' ' LYS . 11.9 t70 -84.13 90.52 7.5 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.035 0.445 . . . . 0.0 110.376 -176.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 36.1 pt -127.14 173.9 11.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.829 -177.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -99.26 154.04 18.48 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.628 177.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -69.38 115.56 8.79 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 119.92 34.01 1.02 Allowed Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.528 -0.629 . . . . 0.0 111.528 -176.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.95 149.68 25.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.73 0.3 . . . . 0.0 110.609 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.402 ' O ' HG22 ' A' ' 72' ' ' VAL . 21.4 m -95.62 158.84 15.27 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.714 -178.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -58.44 -39.53 80.11 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.128 0.489 . . . . 0.0 110.872 -179.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -63.34 -51.72 64.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.93 175.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 62.2 tt0 -56.1 -46.78 78.96 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.876 -1.057 . . . . 0.0 111.573 -177.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.402 HG22 ' O ' ' A' ' 68' ' ' SER . 94.7 t -59.8 -48.04 89.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.646 0.26 . . . . 0.0 111.025 179.305 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.849 ' HE2' ' HB3' ' A' ' 40' ' ' ASP . 9.2 mtmp? -70.25 -27.0 64.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.839 0.352 . . . . 0.0 111.085 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -63.64 -42.15 98.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.514 0.673 . . . . 0.0 109.301 174.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.813 ' HE2' ' HA ' ' A' ' 75' ' ' LYS . 9.9 mmpt? -67.14 -41.14 86.62 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.433 176.068 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.3 mt -64.63 -27.51 68.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.415 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.78 -50.87 31.19 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 177.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -62.3 -36.09 81.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.328 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 47.1 t -83.81 -16.64 43.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.242 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 65.4 13.55 8.89 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.48 0.657 . . . . 0.0 110.774 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.4 tp -86.46 3.4 44.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.941 -174.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.6 t -57.99 -40.99 82.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.838 -178.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -64.23 -41.55 96.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.543 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -62.47 -42.74 99.69 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.008 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -43.66 76.7 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -178.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -56.18 -41.4 75.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.288 -178.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -48.65 126.93 12.69 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 123.751 0.657 . . . . 0.0 111.97 -173.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.454 ' HB2' ' HE3' ' A' ' 88' ' ' LYS . 23.1 ttmt -117.9 140.46 49.68 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.97 -175.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.514 ' HB ' ' HA2' ' A' ' 19' ' ' GLY . 26.5 mm -112.52 149.54 15.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -176.404 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.2 mptt 60.56 33.57 20.43 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.448 0.642 . . . . 0.0 111.097 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.7 tp -103.06 109.14 26.0 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.972 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.24 118.23 32.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.913 179.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 59.8 mtt -128.74 109.97 18.77 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.016 178.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.94 93.7 0.33 Allowed 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 122.31 2.006 . . . . 0.0 111.283 176.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 13.7 t -152.65 154.96 36.37 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.002 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.4 tt . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.212 -0.899 . . . . 0.0 108.791 -178.889 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.8 ttm . . . . . 0 N--CA 1.481 1.125 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -53.77 109.99 0.44 Allowed 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.841 2.36 . . . . 0.0 112.371 176.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -173.52 86.25 0.05 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.891 -178.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.719 HG13 HD11 ' A' ' 51' ' ' ILE . 48.6 mm 65.87 91.92 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 121.693 0.759 . . . . 0.0 110.923 -178.283 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.513 ' HB2' ' HB2' ' A' ' 8' ' ' ARG . 11.5 mp0 -98.64 139.0 35.01 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.139 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.7 m -64.37 120.51 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.13 0.49 . . . . 0.0 110.065 174.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.81 -10.13 62.26 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.061 -176.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.513 ' HB2' ' HB2' ' A' ' 5' ' ' GLU . 59.2 ttt180 -81.85 132.4 35.27 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.32 -0.518 . . . . 0.0 109.745 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.457 HD11 ' HE2' ' A' ' 85' ' ' MET . 17.9 mm -85.61 129.79 37.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.896 -171.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.5 p -125.81 141.47 51.98 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.353 0.597 . . . . 0.0 111.412 -178.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.1 p -107.54 152.76 9.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.462 -0.79 . . . . 0.0 108.97 177.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.0 134.72 38.69 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.879 0.371 . . . . 0.0 110.409 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.3 p -117.25 61.08 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 122.842 1.306 . . . . 0.0 109.124 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -68.24 -29.33 68.13 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.015 -1.448 . . . . 0.0 110.639 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 162.14 -66.43 0.25 Allowed Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.269 177.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -129.99 -29.48 2.08 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.043 0.449 . . . . 0.0 110.489 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.49 -172.65 2.15 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.206 -176.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 73.63 29.98 1.47 Allowed 'General case' 0 N--CA 1.463 0.219 0 O-C-N 123.951 0.782 . . . . 0.0 110.256 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.78 33.78 1.89 Allowed Glycine 0 CA--C 1.519 0.298 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.694 -179.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.5 m -96.82 164.49 12.54 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 178.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -110.4 149.75 29.8 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.6 p -143.88 155.75 44.21 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.795 0.331 . . . . 0.0 110.602 177.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.3 t -111.49 133.18 57.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.415 -177.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.521 HG13 HG12 ' A' ' 35' ' ' VAL . 4.3 mp -78.37 112.27 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 174.284 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.0 p -99.28 -28.3 3.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -173.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -147.56 144.46 28.5 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.791 -177.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.0 mm -102.73 87.65 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.36 -178.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 54.7 mt -71.36 -46.84 62.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.376 0.608 . . . . 0.0 109.638 177.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.499 ' HB3' ' HB2' ' A' ' 32' ' ' PHE . 18.2 t70 -138.26 170.69 15.58 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.314 -0.857 . . . . 0.0 108.833 177.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -81.62 -18.83 43.34 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 120.85 0.357 . . . . 0.0 111.149 -174.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -124.74 -10.33 7.28 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.283 0.563 . . . . 0.0 110.191 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.499 ' HB2' ' HB3' ' A' ' 29' ' ' ASP . 91.2 m-85 -121.69 101.55 7.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.601 174.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.0 m -111.54 169.11 4.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.755 0.312 . . . . 0.0 111.347 -175.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -103.85 116.3 32.04 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 178.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.521 HG12 HG13 ' A' ' 24' ' ' ILE . 30.0 m -111.32 143.69 20.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.139 0.495 . . . . 0.0 110.487 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.2 t -136.97 156.28 48.65 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.773 177.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.5 176.1 18.01 Favored Glycine 0 N--CA 1.439 -1.1 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 177.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.535 ' HB2' ' H ' ' A' ' 42' ' ' THR . 38.0 Cg_exo -60.87 108.37 0.54 Allowed 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.391 2.061 . . . . 0.0 111.437 177.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -66.04 -43.93 86.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.498 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -79.96 -44.26 20.6 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.076 -178.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.436 ' HB ' ' CB ' ' A' ' 38' ' ' PRO . 68.3 mt -76.78 -60.88 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.101 -0.5 . . . . 0.0 112.036 -172.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.535 ' H ' ' HB2' ' A' ' 38' ' ' PRO . 9.9 m -91.94 -38.74 12.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.96 0.409 . . . . 0.0 111.431 -175.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.83 39.36 5.54 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.708 -176.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.48 HG23 ' HB ' ' A' ' 42' ' ' THR . 53.8 t -87.72 131.2 36.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 0.0 110.639 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -96.21 118.32 32.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.69 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.438 ' O ' ' HD2' ' A' ' 46' ' ' ARG . 4.2 ppt_? -70.66 140.39 51.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.371 0.605 . . . . 0.0 112.108 -173.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -159.99 158.39 30.51 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -82.25 133.9 35.27 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.9 m -126.05 167.46 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.133 0.492 . . . . 0.0 111.796 -173.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -107.64 132.37 53.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.417 177.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.719 HD11 HG13 ' A' ' 4' ' ' ILE . 39.7 mt -76.06 83.83 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.403 0.62 . . . . 0.0 110.366 -178.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.9 tt -119.62 -65.32 1.17 Allowed 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.268 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -109.83 49.83 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.269 0.557 . . . . 0.0 111.165 -178.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.1 mp -109.9 130.62 55.5 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.789 177.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.422 ' OE2' ' HD2' ' A' ' 56' ' ' PRO . 0.5 OUTLIER -119.45 119.36 31.69 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -179.629 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.422 ' HD2' ' OE2' ' A' ' 55' ' ' GLU . 38.4 Cg_exo -62.12 133.2 42.71 Favored 'Trans proline' 0 N--CA 1.464 -0.208 0 C-N-CA 122.675 2.25 . . . . 0.0 111.693 176.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 73.2 p -87.7 -171.44 3.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -178.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -80.39 -26.55 38.48 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.956 0.408 . . . . 0.0 111.084 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -93.97 158.82 15.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.522 0.677 . . . . 0.0 112.034 -175.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -161.47 124.16 3.08 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.783 -1.098 . . . . 0.0 109.261 178.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 30.5 pt -93.63 139.15 18.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.978 0.418 . . . . 0.0 109.894 178.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -90.13 99.54 12.53 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.173 0.511 . . . . 0.0 110.648 -178.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 39.7 pt -126.63 -174.47 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.737 -178.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -104.69 165.31 11.15 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.278 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -78.2 62.63 2.95 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.528 0.68 . . . . 0.0 110.156 178.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.02 47.87 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.29 -178.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.434 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . . . -120.32 120.33 35.72 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 120.726 0.298 . . . . 0.0 110.25 -178.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.0 m -91.68 -172.9 3.36 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.004 -176.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -53.56 -24.76 14.53 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.799 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.06 -51.76 35.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.591 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.434 ' HB3' ' HB3' ' A' ' 67' ' ' ALA . 46.2 tp10 -72.49 -36.59 68.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.873 -179.248 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 95.3 t -59.45 -37.84 71.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.005 0.431 . . . . 0.0 110.109 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.818 ' HZ2' ' HB2' ' A' ' 73' ' ' LYS . 4.4 ttmp? -64.8 -39.52 93.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.479 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -58.72 -52.07 67.27 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.15 0.5 . . . . 0.0 110.06 176.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.698 ' HE2' ' HA ' ' A' ' 75' ' ' LYS . 10.4 mmpt? -59.51 -44.45 93.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.979 -178.216 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.493 HD21 ' HG3' ' A' ' 85' ' ' MET . 5.5 mp -59.7 -39.21 83.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.232 178.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -65.06 -49.45 70.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.579 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -56.49 -44.68 80.92 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.407 178.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.3 m -85.01 -7.97 58.92 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.977 -176.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 58.51 37.24 25.56 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.737 0.779 . . . . 0.0 109.513 -176.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.495 ' HG ' ' HB3' ' A' ' 84' ' ' TYR . 15.1 tp -106.23 22.37 15.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.598 -171.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.5 m -59.48 -50.88 72.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.966 -176.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -59.85 -35.9 75.73 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.145 0.497 . . . . 0.0 110.865 -176.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.495 ' HB3' ' HG ' ' A' ' 81' ' ' LEU . 82.5 t80 -52.78 -39.95 62.75 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.921 -177.165 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.493 ' HG3' HD21 ' A' ' 76' ' ' LEU . 24.2 mmt -83.14 -26.59 30.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.81 0.338 . . . . 0.0 111.877 -176.48 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -92.3 -11.06 36.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.321 0.581 . . . . 0.0 110.206 -177.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -70.79 129.23 38.56 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.181 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -103.01 140.63 37.03 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 170.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.642 HG22 ' HD3' ' A' ' 90' ' ' LYS . 14.5 mt -82.46 129.37 37.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 -179.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.642 ' HD3' HG22 ' A' ' 89' ' ' ILE . 5.7 mptp? 62.56 -163.24 0.27 Allowed 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.153 -177.202 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.466 ' O ' HG21 ' A' ' 91' ' ' ILE . 48.8 mt 67.88 37.65 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-O 122.431 1.11 . . . . 0.0 110.206 176.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 95.2 mtm-85 -139.11 139.85 37.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.041 173.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.499 ' SD ' ' HD2' ' A' ' 94' ' ' PRO . 17.0 tpt -89.83 125.64 60.2 Favored Pre-proline 0 C--N 1.321 -0.658 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 -178.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.499 ' HD2' ' SD ' ' A' ' 93' ' ' MET . 16.8 Cg_endo -59.11 120.67 8.67 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.637 2.225 . . . . 0.0 111.881 176.006 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.3 t -86.6 122.52 30.63 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.469 -179.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.8 tt . . . . . 0 C--O 1.247 0.929 0 CA-C-O 118.495 -0.764 . . . . 0.0 109.775 -176.038 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.8 mtp . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -59.04 114.57 2.07 Favored 'Trans proline' 0 CA--C 1.529 0.233 0 C-N-CA 122.853 2.369 . . . . 0.0 113.17 -177.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -142.63 110.1 5.73 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.486 177.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.3 mm -102.55 76.44 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.374 0.606 . . . . 0.0 110.55 -175.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -115.27 131.19 57.01 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.064 177.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.9 m -57.57 119.11 2.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.341 0.591 . . . . 0.0 110.109 175.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.66 -16.91 10.33 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.013 -177.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.513 ' NE ' ' HA ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -90.37 103.82 16.46 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 121.127 0.489 . . . . 0.0 109.958 177.078 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.57 HG13 HG23 ' A' ' 23' ' ' VAL . 4.3 mp -68.86 118.55 13.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 173.118 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.578 ' SG ' HD22 ' A' ' 54' ' ' LEU . 3.6 p -102.22 152.09 21.45 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 120.992 0.425 . . . . 0.0 110.866 -176.211 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.6 p -124.2 143.48 37.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.51 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 54.9 mtmt -83.7 81.39 8.77 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.289 179.186 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.8 m -64.33 -37.78 80.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.47 -0.786 . . . . 0.0 112.52 -172.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -101.74 27.53 6.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.488 0.661 . . . . 0.0 110.136 -177.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -83.53 39.97 2.84 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.555 175.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 66.3 -65.38 0.19 Allowed 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.228 1.011 . . . . 0.0 111.69 -177.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -99.42 -17.0 18.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.74 0.305 . . . . 0.0 110.862 -178.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' A' ' 12' ' ' LYS . . . 58.9 31.64 21.49 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.555 178.16 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.542 ' HA3' ' HB ' ' A' ' 89' ' ' ILE . . . -99.83 46.48 1.39 Allowed Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.73 -0.748 . . . . 0.0 113.562 -173.247 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 p -162.8 136.03 5.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.185 0.517 . . . . 0.0 111.89 176.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.33 153.85 37.2 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.114 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.55 ' HB2' ' HB ' ' A' ' 35' ' ' VAL . 7.8 p -148.34 155.3 41.11 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.128 0.489 . . . . 0.0 111.674 -177.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.57 HG23 HG13 ' A' ' 9' ' ' ILE . 22.5 t -112.37 131.01 65.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.033 177.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 60.4 mt -77.84 116.65 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 177.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.2 m -107.23 -31.2 2.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -144.39 147.12 33.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.831 0.348 . . . . 0.0 110.66 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.426 HG23 HG11 ' A' ' 33' ' ' VAL . 62.4 mt -116.3 114.63 46.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.507 -177.154 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.7 mp -84.22 -56.25 5.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -137.62 -165.06 1.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.989 176.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -84.15 -8.48 59.07 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -171.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -121.6 -42.91 2.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.069 -0.394 . . . . 0.0 111.136 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -101.35 120.24 39.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.363 0.601 . . . . 0.0 111.044 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.426 HG11 HG23 ' A' ' 27' ' ' ILE . 27.2 m -123.62 167.81 16.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.346 178.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 61.8 tp -97.59 116.12 29.18 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 177.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.55 ' HB ' ' HB2' ' A' ' 22' ' ' CYS . 26.9 m -120.13 149.77 22.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.018 -178.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.0 t -157.74 171.47 20.25 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.382 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.591 ' HA3' ' HB ' ' A' ' 44' ' ' VAL . . . -125.74 162.39 19.98 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.413 -0.898 . . . . 0.0 111.28 175.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -66.2 143.59 71.67 Favored 'Trans proline' 0 C--O 1.237 0.466 0 C-N-CA 122.453 2.102 . . . . 0.0 111.751 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.45 -166.02 1.39 Allowed 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 176.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 67.37 -57.43 0.44 Allowed 'General case' 0 C--N 1.321 -0.671 0 O-C-N 124.115 0.884 . . . . 0.0 111.273 -178.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 58.9 mt -88.95 -73.45 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.275 -176.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.426 ' O ' ' HD3' ' A' ' 94' ' ' PRO . 4.6 m -90.1 -50.3 6.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.797 0.332 . . . . 0.0 111.23 -175.044 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.12 44.49 11.61 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.899 177.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.591 ' HB ' ' HA3' ' A' ' 37' ' ' GLY . 39.6 t -78.22 118.09 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 177.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.437 ' HZ2' ' HB3' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -75.48 139.33 42.16 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.191 -178.102 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.0 ptt180 -72.29 149.24 44.66 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.389 0.614 . . . . 0.0 112.217 -172.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -158.23 150.93 22.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.203 -178.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 -92.94 109.82 21.27 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 173.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.7 t -122.53 157.92 27.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.205 -175.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -85.14 148.73 25.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.066 177.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 36.7 pt -84.67 8.2 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -176.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 46.2 tp -78.25 -11.0 59.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.907 0.384 . . . . 0.0 111.466 -175.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.412 ' C ' HD13 ' A' ' 54' ' ' LEU . 40.3 m170 -121.76 14.32 10.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.719 0.295 . . . . 0.0 110.989 -178.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.578 HD22 ' SG ' ' A' ' 10' ' ' CYS . 8.9 mp -118.58 128.18 54.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.041 -175.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.469 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 4.3 mm-40 -112.96 120.23 41.04 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.385 177.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 55' ' ' GLU . 6.2 Cg_exo -80.24 134.17 10.15 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 123.28 2.653 . . . . 0.0 112.129 176.132 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 45.6 p -72.18 165.61 24.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.213 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -66.56 -24.91 66.42 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.767 -178.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -65.97 150.53 48.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.472 177.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -158.68 124.89 4.58 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.002 0.429 . . . . 0.0 111.208 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 15.4 pt -104.42 116.93 49.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 170.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -79.51 105.08 10.57 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.364 -170.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 38.4 pt -125.67 -169.45 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.338 176.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -121.95 -174.51 2.9 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.092 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -84.89 130.64 34.62 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 121.104 -0.238 . . . . 0.0 110.475 -177.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 120.29 24.87 2.58 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.233 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.84 128.93 34.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.799 0.333 . . . . 0.0 110.741 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.484 ' O ' HG22 ' A' ' 72' ' ' VAL . 22.3 p -94.73 169.59 10.05 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.188 -178.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.07 -48.82 70.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.504 178.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.541 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 3.7 tp10 -59.97 -42.58 94.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.543 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -60.34 -42.82 96.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.067 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.486 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 69.7 t -61.15 -47.38 93.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.577 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.541 ' HE3' ' HA ' ' A' ' 70' ' ' GLU . 37.8 mtmt -59.97 -40.95 90.81 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.97 0.414 . . . . 0.0 110.796 176.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.35 -46.85 79.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.787 177.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.7 mtpp -80.17 -23.26 41.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.125 -175.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 64.8 mt -66.18 -33.59 76.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.107 0.48 . . . . 0.0 109.864 173.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -65.25 -42.33 93.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.546 177.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -61.92 -43.84 98.02 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.188 0.518 . . . . 0.0 110.648 177.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.3 m -76.82 -17.65 58.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.749 -175.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 15.9 m120 63.93 23.08 13.22 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.37 0.605 . . . . 0.0 110.212 -176.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 30.5 tp -91.9 0.01 57.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.236 -176.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.0 m -54.03 -42.94 69.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.869 -177.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.552 ' O ' ' HB2' ' A' ' 87' ' ' GLU . 50.4 mt-10 -64.72 -41.11 96.21 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.459 -178.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -74.68 -31.13 61.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.945 0.403 . . . . 0.0 110.756 -174.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.49 -38.14 49.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.115 0.483 . . . . 0.0 109.877 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -74.15 -31.9 62.92 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.83 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.552 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -77.32 -175.69 3.82 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 178.069 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.458 ' H ' ' CD ' ' A' ' 87' ' ' GLU . 24.7 tptt 72.32 -171.61 0.15 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.542 ' HB ' ' HA3' ' A' ' 19' ' ' GLY . 4.7 mp -77.68 146.64 8.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -178.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.1 pttt -147.47 126.5 12.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.485 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.412 ' N ' HD12 ' A' ' 91' ' ' ILE . 3.6 mp -87.44 110.09 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 -174.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.437 ' HB3' ' HZ2' ' A' ' 45' ' ' LYS . 0.5 OUTLIER 62.07 84.63 0.13 Allowed 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.73 177.321 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.57 158.92 72.96 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.448 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 42' ' ' THR . 6.9 Cg_exo -73.98 -8.42 21.16 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.01 2.473 . . . . 0.0 112.461 -179.003 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 30.3 m -90.63 98.1 11.57 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.677 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 52.0 tp . . . . . 0 C--O 1.253 1.243 0 CA-C-O 118.602 -0.713 . . . . 0.0 110.001 179.579 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ttt . . . . . 0 N--CA 1.478 0.938 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -63.2 119.97 7.24 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.529 2.153 . . . . 0.0 111.826 178.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.23 106.53 18.75 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.09 -178.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.3 mm -99.4 92.0 2.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 176.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -163.68 -170.65 2.26 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.42 -176.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.511 HG12 ' HB2' ' A' ' 65' ' ' LYS . 31.7 m -68.92 139.86 19.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.204 0.526 . . . . 0.0 109.97 177.071 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.59 9.3 72.28 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.518 -0.848 . . . . 0.0 112.175 -177.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -74.09 106.49 5.79 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 58.1 mt -82.62 121.25 35.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.232 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.497 ' HA ' ' HA ' ' A' ' 56' ' ' PRO . 4.7 p -140.72 156.97 46.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.059 -176.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.6 p -117.83 147.61 21.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.33 178.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.654 ' HZ2' ' HB ' ' A' ' 49' ' ' VAL . 47.1 tptt -72.97 125.14 26.9 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.18 -179.348 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.1 p -111.91 63.68 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-O 123.016 1.388 . . . . 0.0 109.803 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -82.84 20.31 1.2 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.169 -1.378 . . . . 0.0 110.802 177.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 144.17 -141.01 9.81 Favored Glycine 0 N--CA 1.444 -0.781 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -178.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 16' ' ' ARG . 23.0 mtm180 -89.45 -10.0 48.05 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.413 0.625 . . . . 0.0 110.079 176.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -91.79 98.2 11.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.195 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -127.78 89.66 2.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.205 0.526 . . . . 0.0 111.514 -177.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -128.23 -9.93 3.56 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.771 174.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.5 m -77.25 105.37 8.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.735 0.302 . . . . 0.0 110.301 178.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.582 ' HE2' ' O ' ' A' ' 84' ' ' TYR . 30.7 mttp -101.7 133.01 47.08 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.741 -177.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.544 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 58.4 m -141.01 148.56 40.47 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.44 -178.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.447 HG13 HD11 ' A' ' 61' ' ' ILE . 60.1 t -123.71 137.06 58.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.17 -178.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.4 mt -67.52 108.86 1.33 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.356 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 176.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.467 HG23 HG23 ' A' ' 36' ' ' THR . 57.5 t -109.53 -36.46 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.805 0.336 . . . . 0.0 111.02 -179.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.524 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 20.5 t0 -139.82 143.34 36.77 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.46 179.288 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 70.0 mt -113.74 115.66 50.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.028 0.442 . . . . 0.0 110.483 -177.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.427 HD12 ' N ' ' A' ' 28' ' ' ILE . 3.7 mp -96.81 -63.89 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.964 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -107.56 -159.1 0.68 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -179.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -80.06 -57.43 3.63 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.024 0.44 . . . . 0.0 110.738 -178.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.557 HD22 ' HB2' ' A' ' 52' ' ' LEU . 24.0 t-20 -94.93 -34.12 12.52 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-O 121.282 0.563 . . . . 0.0 109.854 179.067 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -84.63 104.29 14.49 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.76 -176.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.1 m -119.29 170.84 8.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.729 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.524 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . 56.2 tp -100.23 115.83 30.8 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 178.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.544 ' HB ' ' HB3' ' A' ' 22' ' ' CYS . 35.2 m -112.54 150.76 14.64 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.891 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 176.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.467 HG23 HG23 ' A' ' 25' ' ' VAL . 14.8 t -151.18 144.86 25.03 Favored 'General case' 0 C--N 1.312 -1.023 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.787 179.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.493 ' HA3' ' HB ' ' A' ' 44' ' ' VAL . . . -112.45 146.8 18.25 Favored Glycine 0 N--CA 1.441 -1.0 0 N-CA-C 109.866 -1.293 . . . . 0.0 109.866 171.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -49.02 122.65 8.68 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.959 2.439 . . . . 0.0 112.608 -175.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.0 ptmm? -71.22 -21.27 62.16 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.035 0.445 . . . . 0.0 110.647 -176.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -84.72 -33.88 23.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.665 -178.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.4 mt -130.26 107.52 14.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.127 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.532 ' OG1' ' HA ' ' A' ' 86' ' ' LYS . 7.9 m 71.7 86.06 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 O-C-N 123.862 0.726 . . . . 0.0 110.196 -175.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.21 77.24 0.58 Allowed Glycine 0 N--CA 1.453 -0.196 0 CA-C-N 115.652 -0.704 . . . . 0.0 113.708 -172.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.493 ' HB ' ' HA3' ' A' ' 37' ' ' GLY . 42.9 t -82.73 -23.96 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.096 0.474 . . . . 0.0 109.906 174.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 36' ' ' THR . 95.5 mttt 66.72 -161.93 0.24 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.371 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 46' ' ' ARG . 16.3 ptt180 -122.87 135.22 54.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.29 -179.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -169.51 161.22 9.56 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -95.65 123.91 39.43 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 176.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.654 ' HB ' ' HZ2' ' A' ' 12' ' ' LYS . 16.1 m -139.26 22.85 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 111.546 0.202 . . . . 0.0 111.546 -175.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.503 ' HB2' ' OD1' ' A' ' 31' ' ' ASN . 8.1 p30 52.51 175.14 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.784 1.234 . . . . 0.0 112.577 -174.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 11.5 pt -119.23 -11.99 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 N-CA-C 112.354 0.502 . . . . 0.0 112.354 -177.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.557 ' HB2' HD22 ' A' ' 31' ' ' ASN . 3.5 tt -67.57 -45.53 75.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.978 0.418 . . . . 0.0 110.217 -176.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.401 ' C ' HD12 ' A' ' 54' ' ' LEU . 40.3 m-70 -94.34 26.74 3.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.161 0.505 . . . . 0.0 111.335 -177.385 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.484 HD11 ' O ' ' A' ' 50' ' ' ASN . 8.1 mp -124.79 136.89 54.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.443 -0.799 . . . . 0.0 108.9 170.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -109.96 128.99 24.43 Favored Pre-proline 0 C--N 1.318 -0.801 0 CA-C-O 120.833 0.349 . . . . 0.0 110.266 -176.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.497 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 87.7 Cg_endo -80.65 160.08 21.94 Favored 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 122.969 2.446 . . . . 0.0 113.263 -174.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 59.3 p -92.95 178.93 5.6 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.18 175.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -79.25 -4.58 51.38 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.914 0.388 . . . . 0.0 110.808 178.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -106.69 149.1 27.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.179 0.514 . . . . 0.0 111.176 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.1 ttpp -141.23 154.11 45.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.167 -0.924 . . . . 0.0 108.809 176.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.447 HD11 HG13 ' A' ' 23' ' ' VAL . 21.2 pt -116.66 157.53 17.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 174.25 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.91 46.6 1.12 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.177 0.513 . . . . 0.0 110.638 -174.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.7 pp -73.38 175.51 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.226 178.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -96.88 146.99 24.42 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.417 -176.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.511 ' HB2' HG12 ' A' ' 6' ' ' VAL . 7.7 ttpm? -65.65 112.95 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 177.181 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.23 37.77 5.85 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.23 -177.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.2 163.21 23.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.722 0.296 . . . . 0.0 110.466 176.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.427 ' O ' HG23 ' A' ' 72' ' ' VAL . 48.1 p -95.77 166.97 11.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.162 -178.339 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.449 ' O ' ' HG3' ' A' ' 73' ' ' LYS . 10.8 t70 -56.66 -35.07 67.98 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.739 176.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.468 ' HA ' ' NZ ' ' A' ' 73' ' ' LYS . 3.7 tp10 -64.69 -51.05 64.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.103 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.588 ' HA ' ' HD3' ' A' ' 74' ' ' LYS . 31.7 tp10 -59.4 -42.71 92.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.422 -178.018 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 68' ' ' SER . 97.7 t -60.8 -45.05 98.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.428 -179.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.468 ' NZ ' ' HA ' ' A' ' 70' ' ' GLU . 34.0 mtmm -65.89 -37.29 85.73 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 120.543 0.211 . . . . 0.0 111.263 -178.09 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.588 ' HD3' ' HA ' ' A' ' 71' ' ' GLU . 45.0 mtpt -60.29 -56.78 17.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.583 0.706 . . . . 0.0 110.284 177.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -62.75 -32.13 73.21 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.909 -1.042 . . . . 0.0 111.604 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 41.2 tp -65.68 -41.2 92.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.896 0.379 . . . . 0.0 110.158 176.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.66 -40.51 92.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.062 179.053 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -59.79 -36.74 77.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.502 178.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.1 m -87.7 -10.51 50.97 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.754 0.311 . . . . 0.0 111.234 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 63.35 24.8 14.37 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.809 0.814 . . . . 0.0 110.375 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.6 tp -90.47 8.77 32.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.481 -175.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.6 m -55.81 -39.95 72.06 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.529 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -57.66 -51.88 67.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.132 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.582 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 13.4 t80 -67.12 -29.96 69.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.152 -172.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 19.7 mmt -72.32 -39.94 67.84 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 120.898 0.38 . . . . 0.0 111.188 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.532 ' HA ' ' OG1' ' A' ' 42' ' ' THR . 88.9 tttt -76.49 -58.31 3.35 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.594 -175.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -101.61 130.05 47.86 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.105 0.479 . . . . 0.0 111.419 -170.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -165.22 -165.13 0.83 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.07 177.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 51.4 mt -50.11 144.29 1.84 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.887 -174.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -59.16 113.47 2.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.04 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.406 HG21 ' HG3' ' A' ' 93' ' ' MET . 10.2 tt -113.04 137.23 46.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.08 176.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.427 ' O ' ' HD3' ' A' ' 94' ' ' PRO . 6.2 ptt180 -76.3 85.23 3.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.367 0.603 . . . . 0.0 111.237 -178.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.406 ' HG3' HG21 ' A' ' 91' ' ' ILE . 88.7 mtp -90.73 106.34 15.1 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.238 173.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.427 ' HD3' ' O ' ' A' ' 92' ' ' ARG . 27.4 Cg_exo -61.68 126.91 20.14 Favored 'Trans proline' 0 C--O 1.236 0.396 0 C-N-CA 122.684 2.256 . . . . 0.0 112.48 -176.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.5 m -78.48 68.17 4.42 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 175.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.038 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 -177.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.483 1.21 0 CA-C-O 120.649 0.262 . . . . 0.0 110.744 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -70.03 103.98 1.29 Allowed 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 122.456 2.104 . . . . 0.0 111.453 177.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -155.51 169.76 23.54 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.069 -177.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 39.9 mm 55.5 60.32 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-O 121.84 0.828 . . . . 0.0 110.226 -176.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.413 ' HG2' ' H ' ' A' ' 6' ' ' VAL . 13.2 tt0 -176.37 -167.33 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 177.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.556 HG13 ' HA ' ' A' ' 25' ' ' VAL . 33.8 m -69.67 148.3 11.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.214 0.531 . . . . 0.0 111.596 -177.31 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.545 ' O ' ' HB2' ' A' ' 60' ' ' LYS . . . 94.7 -33.43 5.35 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.78 -0.724 . . . . 0.0 113.413 173.182 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.424 HH21 ' HA ' ' A' ' 58' ' ' ASP . 6.2 tpt180 -84.16 113.82 21.34 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.854 0.327 . . . . 0.0 110.599 -176.08 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.684 HG12 ' HA ' ' A' ' 60' ' ' LYS . 51.1 mm -71.7 125.81 30.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.32 -179.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 56.5 m -123.59 146.71 47.95 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.202 -177.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.4 p -112.35 141.03 29.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.061 0.458 . . . . 0.0 110.999 -177.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.942 ' HD3' ' HB2' ' A' ' 20' ' ' SER . 50.6 mtpt -70.24 125.68 27.48 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.343 178.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.458 HG23 ' HA ' ' A' ' 54' ' ' LEU . 14.9 m -116.72 49.6 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.498 0.666 . . . . 0.0 111.745 -174.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -86.4 118.03 25.58 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 176.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.31 -75.16 2.36 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.797 -0.716 . . . . 0.0 111.581 -177.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 61.0 mtm-85 -137.82 -76.87 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 174.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -142.79 124.74 15.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.895 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.636 ' HB3' ' HB2' ' A' ' 12' ' ' LYS . . . -101.25 134.53 44.17 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.976 0.417 . . . . 0.0 110.515 178.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.43 42.82 2.45 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.8 -0.637 . . . . 0.0 112.517 -177.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.942 ' HB2' ' HD3' ' A' ' 12' ' ' LYS . 5.9 m -130.35 113.66 14.63 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 178.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.643 ' HZ1' ' HB3' ' A' ' 87' ' ' GLU . 8.9 mptt -102.62 138.66 39.23 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 175.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 83.4 m -140.77 159.95 41.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.731 0.3 . . . . 0.0 110.652 -176.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.3 t -120.0 140.57 43.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.345 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 59.0 mt -93.18 131.45 40.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 175.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.556 ' HA ' HG13 ' A' ' 6' ' ' VAL . 11.8 m -122.08 -37.4 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -177.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.472 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 43.3 t0 -127.1 126.8 43.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.171 0.51 . . . . 0.0 110.751 -176.173 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.6 mm -95.06 102.28 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.542 -178.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 41.0 mm -79.86 -43.8 22.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.434 0.635 . . . . 0.0 110.316 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.551 ' CG ' ' H ' ' A' ' 30' ' ' ASP . 28.7 t70 -150.94 -172.18 4.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.202 -0.908 . . . . 0.0 108.885 -178.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.551 ' H ' ' CG ' ' A' ' 29' ' ' ASP . 4.3 m-20 -88.24 -19.83 26.3 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 120.923 0.392 . . . . 0.0 110.232 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -106.04 -32.69 8.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.561 175.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.411 ' HA ' ' HA ' ' A' ' 50' ' ' ASN . 97.1 m-85 -110.02 134.18 52.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.027 -177.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.8 m -136.9 173.95 12.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.735 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.472 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . 5.9 tt -109.92 115.47 29.86 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 173.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 30.8 m -106.82 149.5 10.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.668 -178.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.2 t -125.91 138.93 53.81 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.584 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.542 ' HA3' ' HB ' ' A' ' 44' ' ' VAL . . . -107.78 160.28 14.03 Favored Glycine 0 N--CA 1.441 -0.974 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 175.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.746 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 50.9 Cg_endo -72.4 95.91 0.79 Allowed 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 122.436 2.091 . . . . 0.0 112.387 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.501 ' O ' ' HE3' ' A' ' 73' ' ' LYS . 14.8 tmtt? -75.9 144.31 41.21 Favored 'General case' 0 N--CA 1.436 -1.159 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 177.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.491 ' HB2' ' O ' ' A' ' 39' ' ' LYS . 17.4 m-20 77.42 -27.66 0.17 Allowed 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.559 -1.201 . . . . 0.0 111.305 -173.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.746 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 75.3 mt -82.92 -59.77 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.745 0.307 . . . . 0.0 110.227 177.317 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.488 ' HG1' ' HG2' ' A' ' 38' ' ' PRO . 23.5 p -111.92 -54.71 2.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.995 0.426 . . . . 0.0 110.35 175.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.71 14.31 4.8 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.55 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.542 ' HB ' ' HA3' ' A' ' 37' ' ' GLY . 60.9 t -66.32 126.05 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.759 0.314 . . . . 0.0 110.801 178.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -78.24 158.14 29.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.065 -177.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 -125.65 132.71 52.4 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.543 -171.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.73 -178.89 2.34 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.174 175.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -80.02 131.74 35.85 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.712 0.291 . . . . 0.0 110.726 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.9 p -157.56 172.09 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 -177.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.411 ' HA ' ' HA ' ' A' ' 32' ' ' PHE . 26.4 p-10 -72.11 -177.04 1.94 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.837 0.351 . . . . 0.0 111.02 179.062 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.441 ' O ' HD22 ' A' ' 54' ' ' LEU . 23.5 pt -58.99 -22.03 20.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -177.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 43.5 tp 72.4 -11.32 0.83 Allowed 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 172.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 67.77 83.0 0.17 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.757 0.789 . . . . 0.0 110.206 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.458 ' HA ' HG23 ' A' ' 13' ' ' VAL . 1.4 pt? -137.19 164.55 28.22 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.179 -178.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.465 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 43.7 mt-10 -125.5 134.76 26.12 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.791 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 55' ' ' GLU . 6.7 Cg_exo -73.21 142.98 34.81 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.879 2.386 . . . . 0.0 112.411 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 40.6 p -99.89 177.24 5.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.64 176.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.424 ' HA ' HH21 ' A' ' 8' ' ' ARG . 0.6 OUTLIER -80.3 -38.85 29.93 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.908 -179.472 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -75.99 134.28 40.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.25 0.547 . . . . 0.0 109.878 178.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.684 ' HA ' HG12 ' A' ' 9' ' ' ILE . 17.6 pttp -148.33 -167.75 2.9 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.861 -176.233 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.2 pt -120.17 -170.39 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 175.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.464 ' HB3' ' HE2' ' A' ' 75' ' ' LYS . 25.0 t70 -141.04 94.87 2.76 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -177.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.9 pt -136.45 175.61 9.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.163 -174.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -94.73 145.27 24.98 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.778 177.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.534 ' HA ' HG11 ' A' ' 6' ' ' VAL . 33.5 ttpt -69.18 112.06 5.53 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.128 0.49 . . . . 0.0 110.499 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 114.75 1.73 22.72 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.843 -175.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.75 145.11 35.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.976 0.417 . . . . 0.0 111.861 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.1 m -92.03 175.76 6.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.918 -179.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -56.82 -40.51 76.13 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.189 -0.46 . . . . 0.0 112.146 -175.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 0.8 OUTLIER -56.52 -49.47 74.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.122 0.487 . . . . 0.0 110.094 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -66.39 -40.97 90.0 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.905 -178.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.534 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 93.1 t -62.28 -48.59 87.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.325 177.011 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.501 ' HE3' ' O ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -55.69 -45.17 77.86 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.708 -178.802 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 70' ' ' GLU . 32.7 mmtp -62.62 -47.04 85.47 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.465 -179.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.464 ' HE2' ' HB3' ' A' ' 62' ' ' ASP . 30.7 tptt -67.06 -33.73 76.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.95 -177.135 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 88.6 mt -60.89 -41.9 96.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.969 174.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -67.96 -46.39 71.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.711 178.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -53.76 -45.17 70.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.412 178.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.1 m -81.65 -7.61 59.61 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.343 -177.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.5 t30 60.55 26.48 16.14 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.773 0.797 . . . . 0.0 109.339 -175.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.529 HD21 HG13 ' A' ' 9' ' ' ILE . 43.7 tp -74.75 -19.31 60.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.2 -176.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.9 m -51.95 -35.14 45.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.177 178.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -61.29 -51.49 68.66 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.396 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.466 ' CZ ' ' HE2' ' A' ' 21' ' ' LYS . 53.9 t80 -78.28 -32.52 49.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.935 -179.143 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.529 ' HE2' ' HD3' ' A' ' 38' ' ' PRO . 12.6 ttt -72.7 -22.82 60.83 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.659 0.266 . . . . 0.0 111.347 -174.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -85.7 0.31 53.1 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.289 0.566 . . . . 0.0 110.205 178.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.643 ' HB3' ' HZ1' ' A' ' 21' ' ' LYS . 29.0 tt0 -64.99 111.37 2.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.288 0.566 . . . . 0.0 110.085 177.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.407 ' HB2' HD11 ' A' ' 91' ' ' ILE . 50.4 pttt -106.93 123.97 48.94 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.748 -171.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.421 HD12 ' HG2' ' A' ' 87' ' ' GLU . 4.6 mp -127.29 133.66 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.887 177.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.441 ' HE2' ' HB3' ' A' ' 90' ' ' LYS . 15.1 mtpt 58.02 35.48 25.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.045 -177.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.407 HD11 ' HB2' ' A' ' 88' ' ' LYS . 61.8 mt -108.79 99.09 7.93 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 115.291 -0.868 . . . . 0.0 108.937 174.209 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -138.05 146.97 43.65 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.512 -174.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -96.17 145.5 29.67 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.99 177.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -75.59 -154.58 0.04 OUTLIER 'Trans proline' 0 N--CA 1.464 -0.249 0 C-N-CA 122.913 2.409 . . . . 0.0 111.169 174.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.5 t -55.85 115.5 2.42 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 121.32 0.581 . . . . 0.0 110.566 176.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 44.7 tp . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.31 -0.852 . . . . 0.0 109.883 -178.596 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.8 ttt . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 120.683 0.277 . . . . 0.0 110.672 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -65.12 152.05 83.58 Favored 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 122.528 2.152 . . . . 0.0 111.323 174.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 70.52 172.19 0.31 Allowed 'General case' 0 C--O 1.236 0.358 0 O-C-N 123.786 0.679 . . . . 0.0 111.455 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.461 HG13 HD11 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -116.44 134.08 61.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.953 -179.209 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.5 ' HA ' HD11 ' A' ' 27' ' ' ILE . 26.4 tt0 -154.09 175.4 13.48 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 177.288 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.567 HG22 ' HA ' ' A' ' 65' ' ' LYS . 7.9 p -56.65 133.01 21.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.237 0.541 . . . . 0.0 111.369 -179.074 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.09 -4.52 67.78 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.483 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.536 ' HB3' HD12 ' A' ' 24' ' ' ILE . 24.1 tpt85 -79.56 101.21 8.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.838 0.351 . . . . 0.0 110.548 -178.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.593 HG12 HG23 ' A' ' 23' ' ' VAL . 58.6 mt -69.12 128.7 33.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.009 176.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.534 ' HA ' ' HA ' ' A' ' 56' ' ' PRO . 39.8 m -132.63 151.22 52.01 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.031 -178.283 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.5 p -118.67 151.28 20.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.108 0.48 . . . . 0.0 110.982 -175.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 48.9 mmtm -78.67 95.35 5.25 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 174.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.5 p -63.91 -45.84 95.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.047 -175.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.3 tmmm? -126.47 134.17 51.01 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 138.07 -45.15 1.07 Allowed Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.806 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.7 tpm_? -136.94 16.87 3.04 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.942 0.401 . . . . 0.0 110.344 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 60.07 56.02 3.52 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.039 177.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.58 -163.27 0.27 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.499 177.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 81.73 -38.95 2.51 Favored Glycine 0 CA--C 1.518 0.243 0 CA-C-N 115.421 -0.809 . . . . 0.0 112.516 177.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.5 m -79.28 95.75 5.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.063 0.458 . . . . 0.0 110.328 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -105.56 137.37 43.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.289 -177.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 33.0 m -133.95 151.78 51.61 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.15 -177.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.593 HG23 HG12 ' A' ' 9' ' ' ILE . 46.5 t -110.08 130.24 63.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.517 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.536 HD12 ' HB3' ' A' ' 8' ' ' ARG . 63.0 mt -70.13 112.96 5.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.743 174.562 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.3 m -109.2 -30.17 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -177.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.543 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 18.2 t70 -139.32 118.45 12.65 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.946 0.403 . . . . 0.0 110.62 -179.136 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.5 HD11 ' HA ' ' A' ' 5' ' ' GLU . 53.4 mt -85.29 96.5 4.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.898 178.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.409 HD13 ' HB2' ' A' ' 34' ' ' LEU . 52.9 mt -74.66 -62.59 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.536 ' HB2' ' HB3' ' A' ' 32' ' ' PHE . 2.2 m-20 -125.31 -167.49 1.69 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.566 177.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -79.55 -31.77 42.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.612 0.244 . . . . 0.0 111.467 -178.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.4 ' O ' HG13 ' A' ' 51' ' ' ILE . 13.2 t-20 -117.4 -25.78 6.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.991 0.424 . . . . 0.0 110.707 177.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.536 ' HB3' ' HB2' ' A' ' 29' ' ' ASP . 25.0 t80 -89.51 120.6 30.97 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 176.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.429 HG21 ' N ' ' A' ' 34' ' ' LEU . 11.4 p -139.54 162.21 26.76 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 CA-C-O 121.34 0.591 . . . . 0.0 111.328 -172.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.543 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . 60.3 tp -109.65 116.82 32.45 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.264 177.527 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 31.2 m -121.63 151.37 25.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.041 0.448 . . . . 0.0 110.968 -177.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.3 t -148.57 166.85 27.01 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 175.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.551 ' HA3' ' HB ' ' A' ' 44' ' ' VAL . . . -139.14 116.69 1.27 Allowed Glycine 0 N--CA 1.44 -1.055 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 177.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.726 ' HG2' HD11 ' A' ' 76' ' ' LEU . 26.4 Cg_exo -30.87 111.89 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 124.345 3.363 . . . . 0.0 113.264 -176.458 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.845 ' HA ' ' HA2' ' A' ' 43' ' ' GLY . 59.9 mttp -78.88 0.79 25.84 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.069 -170.174 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.782 ' HB3' ' HD2' ' A' ' 73' ' ' LYS . 18.3 t70 -99.92 -15.98 18.15 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.7 0.762 . . . . 0.0 109.61 171.028 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.566 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 72.6 mt -102.75 -63.05 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.025 -176.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.466 HG23 HG22 ' A' ' 44' ' ' VAL . 9.5 t -115.86 -31.35 5.8 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.988 0.423 . . . . 0.0 110.739 -177.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.845 ' HA2' ' HA ' ' A' ' 39' ' ' LYS . . . 81.48 65.73 1.65 Allowed Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.725 177.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.551 ' HB ' ' HA3' ' A' ' 37' ' ' GLY . 90.0 t -111.98 119.31 59.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 175.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.685 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 24.8 mtpp -71.25 153.21 42.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.951 -178.048 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -70.38 124.29 23.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.109 0.481 . . . . 0.0 110.405 -178.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -148.75 142.41 25.5 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.076 -178.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 59.5 mtm180 -87.82 114.12 24.13 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 178.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.4 t -122.44 143.83 33.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.768 -173.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -83.78 135.09 34.67 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.933 174.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.461 HD11 HG13 ' A' ' 4' ' ' ILE . 52.2 mt -67.02 -8.98 8.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.366 0.603 . . . . 0.0 110.699 -178.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 38.9 tp -63.52 -11.94 28.2 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.379 177.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -130.83 27.39 4.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.732 0.301 . . . . 0.0 110.485 177.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 30.8 tp -137.15 126.4 24.72 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.922 -175.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -121.77 136.47 26.13 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 120.893 0.378 . . . . 0.0 110.314 178.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.534 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 90.1 Cg_endo -77.67 158.4 31.92 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.87 2.38 . . . . 0.0 113.704 -174.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.459 HG21 ' H ' ' A' ' 58' ' ' ASP . 0.9 OUTLIER -86.66 -175.4 5.41 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 175.461 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.459 ' H ' HG21 ' A' ' 57' ' ' THR . 5.4 m-20 -53.44 -74.58 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -176.198 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -105.6 167.33 9.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.297 0.57 . . . . 0.0 112.25 -172.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -112.37 141.02 46.61 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.512 -178.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.6 pt -86.37 142.79 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 176.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -93.09 93.07 8.1 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.156 0.503 . . . . 0.0 111.235 -173.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 34.8 pt -115.29 179.54 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.888 176.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -97.19 140.62 31.42 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.461 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.567 ' HA ' HG22 ' A' ' 6' ' ' VAL . 1.7 tmmt? -61.5 126.44 27.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.523 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.61 49.24 3.95 Favored Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -175.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -99.39 153.25 19.14 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.881 0.372 . . . . 0.0 111.123 -176.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.9 p -92.9 171.12 9.17 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.404 178.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.42 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 7.7 t70 -60.88 -35.57 76.96 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -63.38 -47.84 80.35 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.085 176.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -58.19 -51.08 71.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.673 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 44.6 t -62.87 -39.28 84.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.477 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.782 ' HD2' ' HB3' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -62.3 -47.11 85.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.209 179.028 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt -64.29 -42.31 96.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.203 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.75 -43.42 88.98 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.824 0.345 . . . . 0.0 110.512 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.726 HD11 ' HG2' ' A' ' 38' ' ' PRO . 21.4 mt -64.0 -33.24 75.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.373 178.328 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -76.38 -40.97 49.59 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.984 0.421 . . . . 0.0 110.081 178.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -59.41 -49.88 76.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.316 177.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.1 m -76.1 -8.34 56.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.387 178.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 62.36 21.32 12.46 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.152 177.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 30.2 tp -83.32 -7.23 59.62 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.3 t -53.66 -32.78 52.89 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.547 173.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -57.96 -51.52 69.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.487 177.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -71.6 -22.03 61.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.726 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.439 ' HE1' HG22 ' A' ' 42' ' ' THR . 11.3 tpt -71.21 -31.29 67.42 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 177.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.68 -37.56 30.55 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 120.884 0.373 . . . . 0.0 110.347 174.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.33 128.02 34.32 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.068 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.835 ' HZ1' ' HB2' ' A' ' 88' ' ' LYS . 4.1 ttmp? 59.21 92.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.254 -178.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.598 HG12 ' H ' ' A' ' 90' ' ' LYS . 13.7 tt -132.42 175.05 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.421 -169.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.598 ' H ' HG12 ' A' ' 89' ' ' ILE . 57.3 pttt -62.49 134.13 55.96 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 123.203 0.601 . . . . 0.0 111.786 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.5 mp -100.8 117.85 46.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 173.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 44.4 ttt-85 -113.36 91.25 3.58 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 121.001 -0.279 . . . . 0.0 110.681 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.4 mpt? 65.32 171.99 0.09 OUTLIER Pre-proline 0 CA--C 1.534 0.331 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.987 179.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -77.23 13.3 1.58 Allowed 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.459 2.106 . . . . 0.0 112.077 174.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 26.1 p -95.27 80.32 3.55 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.159 -179.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 96' ' ' LEU . 1.6 pt? . . . . . 0 C--O 1.25 1.096 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.036 177.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.494 ' SD ' ' HD2' ' A' ' 2' ' ' PRO . 51.1 tpp . . . . . 0 N--CA 1.479 1.004 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.494 ' HD2' ' SD ' ' A' ' 1' ' ' MET . 50.4 Cg_exo -54.01 106.21 0.16 Allowed 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.71 2.274 . . . . 0.0 112.106 177.143 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -130.81 171.49 13.08 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.885 -178.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.1 mm 65.01 95.25 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 O-C-N 123.944 0.777 . . . . 0.0 110.125 -177.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.425 ' HB3' ' HB2' ' A' ' 8' ' ' ARG . 12.2 tp10 -91.28 140.34 29.88 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.224 -174.493 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.3 m -64.35 109.92 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.626 0.727 . . . . 0.0 110.968 -178.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.97 -1.01 62.84 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.26 -0.882 . . . . 0.0 113.174 178.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.523 ' HA ' ' HA ' ' A' ' 60' ' ' LYS . 27.3 ttt180 -85.05 116.97 23.73 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 118.002 0.901 . . . . 0.0 109.938 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 64.2 mt -68.34 131.23 33.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.436 -175.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 57.0 m -120.09 157.87 28.05 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.591 -176.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.6 p -126.14 145.58 33.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 177.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.569 ' HE3' ' SG ' ' A' ' 22' ' ' CYS . 1.6 mptm? -66.74 132.66 48.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.157 -177.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.4 HG23 ' HG3' ' A' ' 55' ' ' GLU . 27.6 m -121.9 -18.02 5.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.542 177.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -149.72 135.42 18.53 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.206 0.527 . . . . 0.0 110.871 -177.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.453 ' O ' ' HB2' ' A' ' 16' ' ' ARG . . . 135.71 8.31 1.71 Allowed Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.462 -0.875 . . . . 0.0 112.73 178.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.453 ' HB2' ' O ' ' A' ' 15' ' ' GLY . 79.4 mtm180 76.4 -37.07 0.28 Allowed 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.376 0.67 . . . . 0.0 111.872 178.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -97.14 107.69 20.27 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 172.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.542 ' HA ' ' CB ' ' A' ' 12' ' ' LYS . . . -133.79 30.05 3.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.087 0.47 . . . . 0.0 110.501 -175.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.548 ' HA2' ' HB ' ' A' ' 89' ' ' ILE . . . -110.48 40.65 2.48 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.554 -0.832 . . . . 0.0 112.311 -175.259 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.3 p -158.49 145.02 17.3 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.139 0.495 . . . . 0.0 111.926 -177.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -101.17 145.04 29.32 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 171.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.569 ' SG ' ' HE3' ' A' ' 12' ' ' LYS . 63.0 m -145.47 156.33 43.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.629 0.252 . . . . 0.0 111.137 -176.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.3 p -125.21 148.14 29.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 177.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.768 HG13 HG13 ' A' ' 35' ' ' VAL . 4.2 mp -91.58 122.58 43.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.7 m -96.32 -28.45 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -177.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.506 ' OD2' ' HG2' ' A' ' 65' ' ' LYS . 14.8 t70 -155.23 138.46 15.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.912 0.387 . . . . 0.0 110.632 -179.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.445 ' HB ' ' HE2' ' A' ' 65' ' ' LYS . 43.6 mm -86.44 105.96 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.426 175.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.3 mm -76.87 -57.91 5.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.94 0.4 . . . . 0.0 110.63 -176.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -136.3 -172.32 3.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.591 -178.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -63.76 -37.22 86.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.504 179.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.432 ' O ' ' HA ' ' A' ' 50' ' ' ASN . 50.0 t30 -111.63 -30.0 7.51 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.927 -177.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -92.98 123.98 36.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.172 0.51 . . . . 0.0 111.691 -177.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.0 m -126.78 152.26 34.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.013 176.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 tt -96.8 116.11 28.58 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.768 HG13 HG13 ' A' ' 24' ' ' ILE . 35.0 m -114.79 151.6 16.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.692 -178.219 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.48 ' HB ' ' HA ' ' A' ' 46' ' ' ARG . 7.2 t -167.71 171.18 10.33 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.727 178.057 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.56 169.59 20.71 Favored Glycine 0 N--CA 1.441 -0.991 0 N-CA-C 110.029 -1.229 . . . . 0.0 110.029 172.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -67.01 95.95 0.37 Allowed 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.924 1.749 . . . . 0.0 110.883 175.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.582 ' HA ' ' O ' ' A' ' 42' ' ' THR . 3.8 ptpp? -74.84 1.98 11.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.521 0.676 . . . . 0.0 111.053 -173.104 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.505 ' HB3' ' HD3' ' A' ' 73' ' ' LYS . 38.4 t70 -91.57 -12.57 33.99 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.891 173.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.597 HG23 ' HD2' ' A' ' 86' ' ' LYS . 2.5 mp -120.48 -53.97 3.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.274 179.142 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.582 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 5.8 m -114.18 152.24 31.51 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.892 -177.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.88 52.65 4.49 Favored Glycine 0 CA--C 1.518 0.236 0 C-N-CA 120.779 -0.724 . . . . 0.0 113.124 -176.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.0 t -115.27 126.52 72.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 179.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.471 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 98.9 mttt -113.51 170.44 8.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.014 -175.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.48 ' HA ' ' HB ' ' A' ' 36' ' ' THR . 0.0 OUTLIER -84.59 136.35 33.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.292 0.568 . . . . 0.0 112.395 -171.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.8 mtt180 -153.43 149.26 27.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.126 175.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -97.81 115.56 28.28 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.06 0.457 . . . . 0.0 110.016 174.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.3 m -125.69 177.91 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.959 -175.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.432 ' HA ' ' O ' ' A' ' 31' ' ' ASN . 26.1 p-10 -96.45 152.48 18.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.319 178.207 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 12.2 pt -79.05 78.41 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.402 0.62 . . . . 0.0 111.755 -178.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 29.5 tp -164.09 35.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.761 179.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -136.78 -37.09 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -176.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.491 ' N ' HD13 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -126.22 155.07 42.4 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.214 0.53 . . . . 0.0 112.099 -173.747 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.4 ' HG3' HG23 ' A' ' 13' ' ' VAL . 38.3 mt-10 -124.56 140.97 36.56 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.707 174.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -66.47 152.59 80.51 Favored 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 122.927 2.418 . . . . 0.0 113.501 -174.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 67.7 p -92.52 -165.94 1.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.859 175.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -81.07 -21.24 40.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.81 0.338 . . . . 0.0 110.956 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -96.73 146.13 25.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.559 0.695 . . . . 0.0 112.576 -172.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 8' ' ' ARG . 16.4 ttpt -138.14 122.53 18.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.583 175.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.6 pt -88.84 111.64 22.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 172.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.446 ' HA ' ' HE3' ' A' ' 60' ' ' LYS . 18.4 t70 -66.33 102.57 0.88 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.435 -172.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.7 pt -125.75 -174.24 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.335 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -118.29 150.87 38.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.939 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.506 ' HG2' ' OD2' ' A' ' 26' ' ' ASP . 63.1 tttm -55.39 109.72 0.59 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.099 0.476 . . . . 0.0 110.596 178.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.53 50.52 0.97 Allowed Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 111.623 -0.591 . . . . 0.0 111.623 -177.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.71 -174.75 2.98 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.744 0.307 . . . . 0.0 110.686 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.1 m -150.63 179.33 8.27 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.54 ' OD2' ' HG2' ' A' ' 39' ' ' LYS . 2.6 m-20 -52.79 -41.17 63.87 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -175.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -56.86 -52.09 66.49 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 120.906 0.384 . . . . 0.0 110.583 -178.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -58.28 -47.1 84.71 Favored 'General case' 0 N--CA 1.439 -0.975 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.654 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 89.9 t -55.69 -50.9 64.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.479 178.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.53 ' HG3' ' O ' ' A' ' 69' ' ' ASP . 40.7 mtmt -64.44 -39.38 93.72 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.174 0.512 . . . . 0.0 110.283 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -56.19 -46.1 79.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.488 178.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -77.71 -31.98 52.67 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.232 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 32.8 tp -66.19 -38.77 88.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.454 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -62.02 -47.82 83.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.715 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -59.04 -45.7 90.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.997 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.3 m -76.32 -21.54 56.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.831 -176.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 55.81 58.25 4.6 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.983 0.897 . . . . 0.0 109.636 -174.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.54 ' O ' HD12 ' A' ' 81' ' ' LEU . 0.9 OUTLIER -114.28 8.2 16.68 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.152 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 m -55.08 -45.95 75.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.662 -1.154 . . . . 0.0 112.299 -174.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -67.47 -36.16 80.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.797 0.332 . . . . 0.0 111.642 -176.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -77.35 -28.31 52.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.056 0.455 . . . . 0.0 110.718 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.32 -41.24 28.43 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.907 0.384 . . . . 0.0 110.027 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.597 ' HD2' HG23 ' A' ' 41' ' ' ILE . 82.5 tttt -73.65 -6.54 47.35 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.494 0.664 . . . . 0.0 110.523 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -66.09 118.06 9.31 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.684 176.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -72.68 143.89 47.93 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.482 178.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.548 ' HB ' ' HA2' ' A' ' 19' ' ' GLY . 36.3 mm -108.6 153.29 10.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 177.027 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.507 ' HE3' ' HB2' ' A' ' 90' ' ' LYS . 20.6 ttmt -80.66 158.08 25.74 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.682 -0.235 . . . . 0.0 110.702 -173.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.407 ' HB ' ' O ' ' A' ' 90' ' ' LYS . 44.2 mm 71.58 79.91 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.384 0 CA-C-O 122.047 0.927 . . . . 0.0 111.336 -179.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -161.61 141.96 10.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.536 -1.211 . . . . 0.0 109.326 176.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.494 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 1.2 pmm? -79.02 125.76 83.21 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 120.934 0.397 . . . . 0.0 110.309 179.312 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.494 ' HD3' ' HA ' ' A' ' 93' ' ' MET . 3.9 Cg_exo -81.03 13.78 2.27 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 123.202 2.601 . . . . 0.0 111.894 179.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.7 t -157.72 138.54 13.15 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.011 -178.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.5 pp . . . . . 0 C--O 1.248 0.982 0 CA-C-O 119.073 -0.489 . . . . 0.0 109.862 178.33 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mpp? . . . . . 0 N--CA 1.478 0.94 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -67.89 102.6 0.78 Allowed 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.088 1.859 . . . . 0.0 112.024 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -165.58 120.28 1.25 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.138 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.4 mm 60.78 85.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-O 121.634 0.73 . . . . 0.0 109.587 -172.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.415 ' CG ' ' HB2' ' A' ' 8' ' ' ARG . 15.5 pt-20 -143.98 164.0 31.85 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.907 -175.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.452 ' HA ' ' O ' ' A' ' 24' ' ' ILE . 17.4 m -73.61 126.65 34.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.154 0.502 . . . . 0.0 110.352 177.228 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.455 ' HA3' HG12 ' A' ' 63' ' ' ILE . . . 98.7 -4.52 59.61 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.637 -0.792 . . . . 0.0 113.067 178.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.415 ' HB2' ' CG ' ' A' ' 5' ' ' GLU . 13.0 ttt180 -97.13 111.18 23.53 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.236 -0.586 . . . . 0.0 109.884 178.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.662 HG13 HG23 ' A' ' 23' ' ' VAL . 3.7 mp -68.55 110.15 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.331 -178.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 55.5 m -103.39 141.25 36.28 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 -178.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.508 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 5.6 p -149.19 136.72 13.79 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.419 -176.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.598 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . 0.1 OUTLIER 50.99 174.58 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 125.058 1.343 . . . . 0.0 114.527 176.775 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.47 ' C ' ' HD2' ' A' ' 14' ' ' LYS . 47.0 t -120.47 -78.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 114.905 -1.043 . . . . 0.0 108.326 172.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.47 ' HD2' ' C ' ' A' ' 13' ' ' VAL . 10.8 mptt -125.48 23.37 7.51 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.441 0.639 . . . . 0.0 109.865 173.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.82 -145.14 19.21 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.208 -0.906 . . . . 0.0 111.705 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.464 ' H ' HD13 ' A' ' 91' ' ' ILE . 0.2 OUTLIER 69.43 -74.15 0.08 Allowed 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.42 0.688 . . . . 0.0 111.488 175.749 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -119.03 24.79 10.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.476 0.655 . . . . 0.0 110.442 -174.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.598 ' HB3' ' HA ' ' A' ' 12' ' ' LYS . . . -148.56 113.01 5.3 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.997 -179.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -139.21 17.68 3.14 Favored Glycine 0 N--CA 1.453 -0.176 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.557 175.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.7 m -118.36 141.89 48.08 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 -175.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.625 ' HD2' ' SD ' ' A' ' 85' ' ' MET . 35.1 mttp -92.33 141.85 28.09 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.152 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.523 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 32.2 m -133.64 143.11 48.39 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.174 0.512 . . . . 0.0 110.079 176.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.662 HG23 HG13 ' A' ' 9' ' ' ILE . 42.1 t -108.08 121.29 60.85 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.311 -179.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.452 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 61.4 mt -74.95 104.49 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 174.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.9 m -101.71 -22.16 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.732 -175.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.575 ' HA ' ' HG3' ' A' ' 65' ' ' LYS . 2.8 t0 -147.85 162.29 39.55 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 -178.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.1 mm -121.58 111.75 32.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.286 -176.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.554 HG21 ' HD3' ' A' ' 48' ' ' ARG . 38.2 mm -90.5 -53.89 8.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.072 0.463 . . . . 0.0 109.975 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.461 ' HB2' ' H ' ' A' ' 32' ' ' PHE . 15.2 m-20 -128.75 -176.52 3.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.213 176.289 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -85.73 -3.26 58.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.538 0.685 . . . . 0.0 109.481 175.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -118.66 -50.07 2.43 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.02 176.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.515 ' HB3' ' HB3' ' A' ' 48' ' ' ARG . 92.5 m-85 -88.88 106.66 18.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.825 179.463 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.7 m -102.16 158.74 4.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.01 176.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 tt -94.39 114.4 26.43 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.523 ' HB ' ' HB3' ' A' ' 22' ' ' CYS . 29.5 m -114.29 146.98 18.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.403 -179.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.4 t -149.92 153.74 37.15 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.107 177.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.41 137.16 11.57 Favored Glycine 0 N--CA 1.441 -1.015 0 N-CA-C 110.416 -1.074 . . . . 0.0 110.416 174.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.802 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 99.2 Cg_exo -43.99 123.66 4.25 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 123.212 2.608 . . . . 0.0 111.976 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -46.68 -50.15 18.23 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -170.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -92.72 -31.62 15.01 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.875 0.369 . . . . 0.0 111.497 -175.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.802 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 68.6 mt -79.13 -40.89 22.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.833 -174.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.5 m -124.41 -45.95 1.92 Allowed 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.951 -0.3 . . . . 0.0 111.377 -175.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.12 61.03 3.88 Favored Glycine 0 CA--C 1.521 0.446 0 C-N-CA 121.05 -0.595 . . . . 0.0 113.054 178.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.7 t -111.2 128.21 67.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 122.618 -0.343 . . . . 0.0 110.496 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -66.55 142.8 57.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.261 -179.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.558 ' HD2' ' N ' ' A' ' 46' ' ' ARG . 1.5 mpt_? -99.04 133.4 43.37 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.758 0.313 . . . . 0.0 111.052 -173.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -169.99 169.41 8.13 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 177.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.554 ' HD3' HG21 ' A' ' 28' ' ' ILE . 74.6 mtt180 -78.85 106.27 10.75 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 177.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.8 t -112.15 144.82 19.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 120.847 0.356 . . . . 0.0 110.867 -173.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.432 ' C ' ' H ' ' A' ' 52' ' ' LEU . 38.3 m-80 -64.16 146.13 54.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.654 178.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.2 pt -73.53 16.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.948 178.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.432 ' H ' ' C ' ' A' ' 50' ' ' ASN . 35.7 tp -112.94 5.44 17.3 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.219 0.533 . . . . 0.0 110.126 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 36.3 t60 -92.86 -16.64 25.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.735 -177.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -153.33 159.13 42.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.181 -179.078 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 46.0 mt-10 -116.32 148.45 41.68 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.417 179.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 55' ' ' GLU . 16.8 Cg_exo -66.31 138.94 52.88 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.822 2.348 . . . . 0.0 111.918 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 64.2 p -92.69 -172.57 3.08 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.248 0.547 . . . . 0.0 111.882 -176.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -76.43 -22.86 54.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.88 -177.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 50.4 mttm -125.67 151.75 46.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.121 0.486 . . . . 0.0 111.505 -171.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.408 ' HB3' ' HG3' ' A' ' 8' ' ' ARG . 18.1 ptmt -139.59 153.62 47.42 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.195 178.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.4 ' O ' HG13 ' A' ' 61' ' ' ILE . 35.1 pt -107.52 113.16 42.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 168.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -71.12 99.7 1.9 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.404 0.621 . . . . 0.0 111.397 -171.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.455 HG12 ' HA3' ' A' ' 7' ' ' GLY . 37.1 pt -123.8 -171.09 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.828 177.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -112.39 169.35 8.94 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.708 177.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.575 ' HG3' ' HA ' ' A' ' 26' ' ' ASP . 28.3 ttpp -73.05 127.25 32.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.142 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.03 24.25 7.73 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.633 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.11 143.39 32.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.769 0.319 . . . . 0.0 110.711 177.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.426 ' O ' HG22 ' A' ' 72' ' ' VAL . 46.2 p -103.65 172.75 6.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.294 -177.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.521 ' OD2' ' HA ' ' A' ' 38' ' ' PRO . 15.9 t70 -53.75 -32.89 53.94 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.548 177.431 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -58.65 -51.82 68.32 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.398 -178.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -71.31 -34.33 70.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.309 -177.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 68' ' ' SER . 85.0 t -58.56 -40.8 80.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.271 177.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.739 ' HE3' ' HB3' ' A' ' 38' ' ' PRO . 1.5 mptm? -64.63 -34.43 78.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.309 178.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.471 ' O ' ' HG3' ' A' ' 78' ' ' GLU . 4.5 tmtt? -77.54 -43.48 31.79 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.814 0.34 . . . . 0.0 110.575 -177.3 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.497 ' HE2' ' HB2' ' A' ' 75' ' ' LYS . 18.3 ttmm -78.93 -24.25 44.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.319 -175.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 22.3 tp -63.79 -37.49 87.56 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 173.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.464 ' HB3' ' O ' ' A' ' 74' ' ' LYS . 28.6 tt0 -60.51 -51.49 69.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.529 173.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 41.9 mt-10 -56.92 -41.3 77.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.29 -178.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.9 m -79.41 -11.49 59.91 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.523 -178.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 57.74 45.74 18.33 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.664 0.745 . . . . 0.0 109.84 -178.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 22.4 tp -119.14 11.53 12.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.027 -176.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.4 m -54.48 -54.24 43.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.006 -0.997 . . . . 0.0 112.449 -173.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -66.67 -43.69 83.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.188 0.518 . . . . 0.0 110.976 -175.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -61.09 -31.86 71.53 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.725 -177.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.625 ' SD ' ' HD2' ' A' ' 21' ' ' LYS . 14.0 tpt -75.1 -36.63 61.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.779 179.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -62.22 -42.86 99.69 Favored 'General case' 0 C--O 1.236 0.363 0 O-C-N 123.493 0.496 . . . . 0.0 110.9 -179.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -63.06 131.67 49.35 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.995 -178.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 53.6 mttp -106.59 151.51 24.94 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.303 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 53.5 mt -91.72 137.77 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.177 0.513 . . . . 0.0 110.857 -174.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.44 ' HB2' ' HE3' ' A' ' 90' ' ' LYS . 24.5 mtmt -138.7 143.09 38.97 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.941 -179.298 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.464 HD13 ' H ' ' A' ' 16' ' ' ARG . 63.9 mt -123.61 123.04 66.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 177.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.649 ' HG2' ' H ' ' A' ' 93' ' ' MET . 18.8 ttm180 70.43 -153.93 0.12 Allowed 'General case' 0 CA--C 1.534 0.355 0 O-C-N 123.854 0.721 . . . . 0.0 109.226 -178.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.748 ' HB3' ' HD2' ' A' ' 94' ' ' PRO . 67.5 mtt -134.95 173.07 6.2 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 -176.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.748 ' HD2' ' HB3' ' A' ' 93' ' ' MET . 1.3 Cg_endo -46.41 -28.93 6.5 Favored 'Trans proline' 0 C--N 1.357 0.979 0 C-N-CA 123.497 2.798 . . . . 0.0 113.204 177.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 91.5 m -85.89 105.46 16.39 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 170.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.421 HD12 ' NH1' ' A' ' 92' ' ' ARG . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.521 -0.752 . . . . 0.0 110.486 -172.398 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.481 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 1.9 mpt? . . . . . 0 N--CA 1.479 1.018 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 5.2 Cg_exo -79.72 152.72 22.67 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 123.173 2.582 . . . . 0.0 112.244 -179.398 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.49 ' O ' ' HB ' ' A' ' 4' ' ' ILE . . . -81.41 114.64 20.3 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.929 175.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.49 ' HB ' ' O ' ' A' ' 3' ' ' ALA . 97.5 mt 74.5 110.92 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 O-C-N 124.039 0.837 . . . . 0.0 110.611 -177.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -152.71 168.31 26.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.202 -173.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.477 HG13 ' HA ' ' A' ' 65' ' ' LYS . 16.2 m -69.15 137.38 24.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.045 0.45 . . . . 0.0 111.218 -179.219 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.65 -13.13 59.39 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.659 -0.701 . . . . 0.0 112.822 177.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -86.3 136.15 33.26 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.911 0.386 . . . . 0.0 110.003 -177.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.569 HG12 HG22 ' A' ' 23' ' ' VAL . 63.8 mt -79.92 129.34 37.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.962 -176.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.416 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 2.2 p -112.58 133.17 54.76 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.095 0.474 . . . . 0.0 110.105 175.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.5 p -101.45 143.63 14.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.366 -178.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.489 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 38.2 ttmt -75.49 103.25 5.54 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.774 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.5 m -88.02 7.97 2.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.02 0.438 . . . . 0.0 111.027 -178.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -69.44 145.4 52.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.872 177.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.93 146.23 35.92 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.961 -0.563 . . . . 0.0 113.672 -177.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 74.21 -5.49 2.06 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.046 0.938 . . . . 0.0 111.542 175.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.434 ' C ' ' H2 ' ' A' ' 19' ' ' GLY . 43.6 mt-10 -139.72 30.75 2.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.735 -0.212 . . . . 0.0 110.914 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.489 ' HA ' ' O ' ' A' ' 12' ' ' LYS . . . -76.04 36.46 0.14 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.08 0.466 . . . . 0.0 111.927 -176.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.473 ' CA ' ' HB ' ' A' ' 89' ' ' ILE . . . -144.64 11.14 1.94 Allowed Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.742 177.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.6 t -94.43 136.01 35.21 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -177.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -119.33 148.95 42.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.006 0.432 . . . . 0.0 111.537 -174.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.6 p -153.6 155.66 36.53 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.029 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.569 HG22 HG12 ' A' ' 9' ' ' ILE . 46.0 t -111.48 134.53 53.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.394 0.14 . . . . 0.0 110.644 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.6 mt -77.16 96.93 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 174.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.532 ' HB ' ' HB1' ' A' ' 67' ' ' ALA . 29.9 m -96.53 -29.87 3.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.899 -173.083 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.538 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 16.9 t0 -140.9 128.5 21.44 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.123 0.487 . . . . 0.0 110.779 -175.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.8 mt -113.34 108.44 25.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.581 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.0 mp -89.84 -59.81 2.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 -177.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.692 ' HB2' ' HB2' ' A' ' 32' ' ' PHE . 3.0 m-20 -107.81 -172.72 2.12 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.513 177.544 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -77.15 -32.64 56.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.922 0.391 . . . . 0.0 110.676 -176.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -112.38 -31.12 6.93 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.059 177.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.692 ' HB2' ' HB2' ' A' ' 29' ' ' ASP . 96.0 m-85 -80.57 103.78 10.65 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.987 0.423 . . . . 0.0 110.286 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.2 m -125.3 153.49 32.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.946 -176.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.538 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . 50.5 tp -98.08 116.17 29.74 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.202 178.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.53 ' O ' ' HB3' ' A' ' 46' ' ' ARG . 35.6 m -116.99 147.67 20.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.198 176.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.456 ' HA ' ' HB3' ' A' ' 46' ' ' ARG . 12.1 t -166.44 168.48 14.8 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -179.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -107.76 -165.54 21.61 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 174.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -74.63 153.12 43.51 Favored 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 122.772 2.314 . . . . 0.0 112.248 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.424 ' O ' ' HB3' ' A' ' 40' ' ' ASP . 5.2 ttpm? -90.92 129.54 36.94 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.424 ' HB3' ' O ' ' A' ' 39' ' ' LYS . 25.1 t70 76.05 -54.19 0.61 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.535 -1.212 . . . . 0.0 110.686 -177.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 62.0 mt -69.07 117.17 11.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 172.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.41 HG23 HG21 ' A' ' 44' ' ' VAL . 26.2 m 72.87 -51.12 0.71 Allowed 'General case' 0 CA--C 1.536 0.413 0 O-C-N 123.725 0.641 . . . . 0.0 110.21 -173.134 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.92 56.1 2.98 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 121.258 -0.496 . . . . 0.0 112.947 173.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.41 HG21 HG23 ' A' ' 42' ' ' THR . 49.7 t -131.64 92.06 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.745 0.307 . . . . 0.0 110.934 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.407 ' HA ' ' OG1' ' A' ' 36' ' ' THR . 64.9 tttp -94.69 106.82 18.82 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 174.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.53 ' HB3' ' O ' ' A' ' 35' ' ' VAL . 16.1 tpt180 -102.96 149.18 24.78 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.518 -175.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -87.59 176.86 7.25 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.656 178.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 48' ' ' ARG . 5.5 ptp180 -68.49 126.68 30.4 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 170.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.53 HG13 ' HE ' ' A' ' 46' ' ' ARG . 17.9 m -128.72 2.79 2.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 112.816 0.672 . . . . 0.0 112.816 -169.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.9 t30 69.22 150.93 0.08 Allowed 'General case' 0 CA--C 1.537 0.472 0 O-C-N 123.805 0.691 . . . . 0.0 110.816 -178.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.471 HD11 HD11 ' A' ' 4' ' ' ILE . 60.3 mt -77.43 85.32 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.327 0.584 . . . . 0.0 110.398 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.8 mt -105.21 -74.01 0.66 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.292 177.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -118.95 51.27 1.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.751 0.31 . . . . 0.0 110.876 -175.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.416 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 96.0 mt -128.24 126.86 41.74 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.486 -179.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -112.27 133.85 21.65 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.561 176.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -69.23 133.12 25.73 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.556 2.171 . . . . 0.0 111.524 175.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 62.7 p -97.75 -179.31 4.4 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.374 -177.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -64.69 -27.5 68.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.567 177.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.505 ' HD2' ' N ' ' A' ' 59' ' ' LYS . 3.7 mptp? -87.96 135.49 33.38 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.568 0.699 . . . . 0.0 111.072 -174.161 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -153.21 130.74 11.44 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.194 -177.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 31.1 pt -90.69 128.15 42.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 172.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -72.81 107.8 5.43 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.101 0.477 . . . . 0.0 109.862 -177.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.649 HD13 ' HG2' ' A' ' 71' ' ' GLU . 15.8 tt -149.6 169.65 2.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.843 -174.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -94.96 172.39 8.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.037 0.446 . . . . 0.0 111.54 -177.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.477 ' HA ' HG13 ' A' ' 6' ' ' VAL . 33.9 ttpt -75.34 126.22 30.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.304 -176.268 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.14 53.98 2.69 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.504 178.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.532 ' HB1' ' HB ' ' A' ' 25' ' ' VAL . . . -71.12 150.85 45.05 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.267 0.556 . . . . 0.0 111.875 -175.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.49 ' O ' HG22 ' A' ' 72' ' ' VAL . 5.9 p -107.04 160.26 15.68 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.208 178.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -48.92 -52.2 25.94 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.473 0.483 . . . . 0.0 111.624 -176.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -62.3 -40.72 97.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.584 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.649 ' HG2' HD13 ' A' ' 63' ' ' ILE . 41.8 tt0 -66.25 -39.88 89.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.742 -178.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 68' ' ' SER . 88.3 t -61.52 -43.58 97.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.03 0.443 . . . . 0.0 110.084 176.318 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.703 ' HB3' ' HZ1' ' A' ' 73' ' ' LYS . 5.5 ttpm? -61.63 -37.07 82.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.365 178.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.41 ' O ' ' HB3' ' A' ' 77' ' ' GLU . 45.8 tttm -66.75 -46.7 74.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.905 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -66.33 -29.21 69.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.053 178.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 44.0 tp -64.15 -35.27 80.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.709 174.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.41 ' HB3' ' O ' ' A' ' 74' ' ' LYS . 37.9 tt0 -70.35 -51.64 28.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.599 175.216 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -52.65 -40.59 62.97 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.735 -178.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.3 m -89.96 -16.24 30.31 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.244 -178.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.7 t30 47.06 68.03 0.7 Allowed 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.811 0.815 . . . . 0.0 109.782 -170.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.454 ' HG ' ' HB3' ' A' ' 84' ' ' TYR . 15.2 tp -115.13 18.66 16.15 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.113 -0.948 . . . . 0.0 110.037 -174.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.1 m -57.12 -53.29 59.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.899 -175.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.52 -32.02 73.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.78 -177.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.454 ' HB3' ' HG ' ' A' ' 81' ' ' LEU . 84.2 t80 -68.09 -28.6 67.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.144 -177.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.491 ' HE3' HD11 ' A' ' 9' ' ' ILE . 11.2 mmt -94.98 -15.31 23.64 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.697 0.284 . . . . 0.0 111.009 177.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -78.94 -43.16 25.22 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.556 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -77.02 151.22 35.67 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 120.859 0.361 . . . . 0.0 110.164 177.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -101.42 165.19 11.39 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.005 0.431 . . . . 0.0 110.784 -178.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.473 ' HB ' ' CA ' ' A' ' 19' ' ' GLY . 53.9 mt -109.39 139.55 31.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 173.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.412 ' HA ' ' HD3' ' A' ' 90' ' ' LYS . 73.7 mmtt 67.11 176.55 0.24 Allowed 'General case' 0 C--N 1.33 -0.241 0 O-C-N 123.613 0.571 . . . . 0.0 111.033 -174.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 10.8 tp 43.52 34.95 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 124.121 0.968 . . . . 0.0 111.828 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 38.7 ttt180 -106.88 91.26 3.59 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.36 -0.837 . . . . 0.0 108.91 -178.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.668 ' HB2' ' HB2' ' A' ' 96' ' ' LEU . 90.8 mmm -106.6 149.63 38.61 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.426 -170.199 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -70.32 128.64 15.79 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 122.584 2.189 . . . . 0.0 111.111 172.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.0 m 77.77 -11.69 1.17 Allowed 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.096 0.559 . . . . 0.0 110.971 -178.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.668 ' HB2' ' HB2' ' A' ' 93' ' ' MET . 92.5 mt . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.879 -0.581 . . . . 0.0 109.633 178.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.6 tpt . . . . . 0 N--CA 1.477 0.903 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -63.36 124.13 13.3 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.033 1.822 . . . . 0.0 111.027 174.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 70.31 177.92 0.26 Allowed 'General case' 0 N--CA 1.457 -0.075 0 O-C-N 123.915 0.759 . . . . 0.0 110.492 -175.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.624 HD12 HG13 ' A' ' 33' ' ' VAL . 9.2 tp 38.99 60.76 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-O 122.608 1.194 . . . . 0.0 111.433 -176.144 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.491 ' HG3' ' HB2' ' A' ' 8' ' ' ARG . 15.5 pt-20 -126.36 164.23 21.54 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.435 -1.257 . . . . 0.0 109.924 -176.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.7 m -68.25 132.2 32.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.991 0.424 . . . . 0.0 110.662 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.13 9.99 83.29 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.79 177.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.654 ' HD2' ' HB2' ' A' ' 60' ' ' LYS . 5.9 tpt180 -88.75 126.66 35.44 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 177.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 mp -77.84 126.76 38.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 178.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.428 ' SG ' HD21 ' A' ' 54' ' ' LEU . 5.7 p -121.79 153.23 38.58 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.451 -178.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.2 p -120.78 150.84 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.698 -176.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.588 ' HB2' ' HB3' ' A' ' 18' ' ' ALA . 31.1 mmmt -75.75 111.54 11.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.554 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.8 t -103.51 46.48 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.866 0.841 . . . . 0.0 109.877 -178.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -99.35 129.86 45.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.696 178.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.62 -58.64 4.84 Favored Glycine 0 N--CA 1.451 -0.354 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -174.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.7 tpt180 -169.34 -59.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 175.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -157.86 125.12 5.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.274 174.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.588 ' HB3' ' HB2' ' A' ' 12' ' ' LYS . . . -116.2 132.32 56.7 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 176.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.68 34.1 1.2 Allowed Glycine 0 CA--C 1.519 0.339 0 C-N-CA 121.287 -0.482 . . . . 0.0 113.809 -175.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.488 ' HB2' ' HG3' ' A' ' 12' ' ' LYS . 17.7 m -103.15 114.14 28.19 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 175.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.45 ' HD2' ' N ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -104.61 143.78 32.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.353 -177.092 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.491 ' SG ' HG11 ' A' ' 44' ' ' VAL . 72.8 m -138.54 156.2 47.72 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.893 177.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 62.1 t -106.21 127.86 61.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 177.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.542 ' HA ' HG11 ' A' ' 35' ' ' VAL . 60.9 mt -69.42 118.6 14.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 178.301 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 66.0 t -111.25 -49.71 6.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.469 -176.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.453 ' HA ' ' HE3' ' A' ' 65' ' ' LYS . 14.8 t70 -130.89 121.81 25.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.903 0.383 . . . . 0.0 111.571 -175.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.421 ' HA ' HG12 ' A' ' 33' ' ' VAL . 3.4 mp -88.62 95.11 5.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 174.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.429 HD12 ' HB2' ' A' ' 34' ' ' LEU . 43.1 mt -72.36 -52.09 25.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.512 -177.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.431 ' CG ' ' H ' ' A' ' 30' ' ' ASP . 20.4 t70 -138.36 177.38 7.92 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.581 -175.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.431 ' H ' ' CG ' ' A' ' 29' ' ' ASP . 16.8 m-20 -72.36 -25.37 61.5 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.715 179.134 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.453 ' O ' ' HA ' ' A' ' 50' ' ' ASN . 17.5 m120 -107.24 -43.27 4.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.943 -179.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -102.07 132.29 48.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.73 0.3 . . . . 0.0 111.403 -177.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.624 HG13 HD12 ' A' ' 4' ' ' ILE . 18.1 m -134.76 167.21 26.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.704 177.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.429 ' HB2' HD12 ' A' ' 28' ' ' ILE . 4.7 tt -111.39 116.06 30.32 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.224 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.542 HG11 ' HA ' ' A' ' 24' ' ' ILE . 28.9 m -117.41 139.75 43.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.438 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.409 ' HA ' ' HB3' ' A' ' 46' ' ' ARG . 23.7 m -111.17 122.4 47.77 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.193 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -99.24 158.42 19.99 Favored Glycine 0 N--CA 1.443 -0.9 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 177.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.437 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 24.1 Cg_exo -63.96 105.37 0.55 Allowed 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.346 2.031 . . . . 0.0 111.071 177.16 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -77.97 -33.57 51.4 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.345 0.593 . . . . 0.0 110.13 -174.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -83.45 -31.79 26.39 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.678 -179.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.556 HG13 ' HE3' ' A' ' 73' ' ' LYS . 64.6 mt -87.21 -75.14 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.929 0.395 . . . . 0.0 111.293 -179.211 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.414 ' H ' ' HB2' ' A' ' 38' ' ' PRO . 2.2 m -75.45 -42.74 52.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 -175.172 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.34 11.08 20.78 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 121.164 -0.541 . . . . 0.0 111.902 -177.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.491 HG11 ' SG ' ' A' ' 22' ' ' CYS . 22.1 t -90.97 148.31 4.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.711 0.291 . . . . 0.0 110.39 -178.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -117.42 154.32 31.57 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.452 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 7.6 ppt_? -71.72 126.69 30.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.041 0.448 . . . . 0.0 110.907 179.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 54.6 mtp85 -142.21 176.45 8.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.77 -175.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -98.36 109.55 22.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.638 177.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.2 p -127.78 156.33 39.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.226 -176.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.453 ' HA ' ' O ' ' A' ' 31' ' ' ASN . 10.5 p30 -91.92 143.97 25.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.854 0.359 . . . . 0.0 110.345 178.076 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.6 mt -68.16 -17.91 22.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.085 -177.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.4 tp -69.43 -10.26 57.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.561 -175.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -128.53 18.56 6.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.986 0.422 . . . . 0.0 110.6 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.428 HD21 ' SG ' ' A' ' 10' ' ' CYS . 39.0 tp -137.92 126.68 23.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.373 -176.214 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -115.37 123.93 30.85 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 120.888 0.375 . . . . 0.0 111.715 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -66.01 127.69 18.19 Favored 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 123.0 2.467 . . . . 0.0 111.006 170.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 67.0 p -79.33 -174.21 4.07 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.347 0.594 . . . . 0.0 111.376 -175.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -72.38 -26.89 62.06 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.008 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -93.91 153.42 18.24 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.344 0.593 . . . . 0.0 111.821 -174.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.654 ' HB2' ' HD2' ' A' ' 8' ' ' ARG . 26.5 tttp -153.35 154.72 35.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.937 -175.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.596 ' N ' ' HG2' ' A' ' 60' ' ' LYS . 26.9 pt -116.12 132.73 64.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 171.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -87.48 102.46 14.59 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 -176.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.421 ' CG2' ' HG2' ' A' ' 75' ' ' LYS . 34.2 pt -136.15 -178.66 2.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.738 -174.07 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.58 169.1 10.59 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 172.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.453 ' HE3' ' HA ' ' A' ' 26' ' ' ASP . 87.6 tttt -77.81 106.21 9.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.123 0.487 . . . . 0.0 110.672 -179.24 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 146.27 63.34 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.59 140.02 32.63 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.953 0.406 . . . . 0.0 111.138 -175.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.458 ' O ' HG22 ' A' ' 72' ' ' VAL . 43.5 p -127.34 175.92 7.82 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.348 176.478 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.447 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 15.5 t70 -57.31 -39.49 75.9 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.425 0.631 . . . . 0.0 109.422 177.173 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -63.16 -51.03 68.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.954 178.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -60.89 -42.43 97.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.563 -179.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 68' ' ' SER . 71.6 t -59.04 -44.87 92.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.292 176.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.556 ' HE3' HG13 ' A' ' 41' ' ' ILE . 1.5 mptm? -51.91 -48.92 63.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.177 0.513 . . . . 0.0 111.107 176.269 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 94.4 mttt -69.38 -40.03 77.65 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.73 -175.096 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.421 ' HG2' ' CG2' ' A' ' 63' ' ' ILE . 13.7 mptt -71.98 -32.21 67.02 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.829 0.347 . . . . 0.0 111.159 177.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.499 HD21 ' HG3' ' A' ' 85' ' ' MET . 5.2 mp -68.44 -30.07 68.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.12 173.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 74' ' ' LYS . 33.9 mm-40 -66.52 -36.27 82.29 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.677 173.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -70.6 -49.73 44.68 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.201 179.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.1 m -90.58 -10.96 41.49 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -173.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 15.5 m120 61.01 26.87 16.79 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.058 0.456 . . . . 0.0 110.549 -177.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 33.0 tp -85.25 9.02 16.39 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.525 -176.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.1 m -61.0 -22.11 64.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.541 -178.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -68.13 -52.24 37.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.949 0.404 . . . . 0.0 110.754 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -62.22 -34.86 77.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.214 -177.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.499 ' HG3' HD21 ' A' ' 76' ' ' LEU . 98.2 mmm -77.16 -20.39 55.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.795 -175.302 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -99.37 -17.56 17.94 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.794 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -61.82 121.01 11.83 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.262 0.553 . . . . 0.0 110.387 178.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.728 ' HG3' HD12 ' A' ' 91' ' ' ILE . 34.2 ttpt -106.88 109.88 21.9 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.977 -172.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.427 HG23 ' HG2' ' A' ' 90' ' ' LYS . 3.9 mp -114.08 138.32 44.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.329 -178.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.427 ' HG2' HG23 ' A' ' 89' ' ' ILE . 29.4 mmmt 54.34 38.76 30.09 Favored 'General case' 0 N--CA 1.461 0.112 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 177.461 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.728 HD12 ' HG3' ' A' ' 88' ' ' LYS . 60.7 mt -124.08 87.77 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-O 121.526 0.679 . . . . 0.0 110.36 176.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -159.63 117.7 2.74 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.887 -1.051 . . . . 0.0 108.923 173.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 26.0 mmt -114.68 134.08 22.45 Favored Pre-proline 0 C--N 1.317 -0.828 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.492 -178.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -59.82 97.96 0.11 Allowed 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 122.612 2.208 . . . . 0.0 110.841 175.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.7 m -121.72 143.51 49.32 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.899 -172.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.1 tt . . . . . 0 C--O 1.245 0.868 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 174.362 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.481 1.123 0 N-CA-C 110.356 -0.238 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -75.29 104.5 1.91 Allowed 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 122.457 2.105 . . . . 0.0 111.565 176.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -150.52 170.35 19.32 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.62 -178.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.418 ' N ' HD13 ' A' ' 4' ' ' ILE . 4.1 mp -99.76 99.72 9.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.006 0.432 . . . . 0.0 110.06 -178.225 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -117.99 153.06 34.29 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.238 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.2 m -60.6 129.61 23.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.511 0.672 . . . . 0.0 111.019 177.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.03 -2.11 78.78 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.734 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.5 ttt180 -91.52 119.45 31.48 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.955 0.407 . . . . 0.0 110.06 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 45.8 mt -68.54 126.66 28.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.905 -176.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.47 ' CB ' HD13 ' A' ' 54' ' ' LEU . 51.9 m -130.41 145.26 51.79 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.105 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.567 HG22 ' HG3' ' A' ' 12' ' ' LYS . 7.4 p -150.4 143.41 17.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -173.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.567 ' HG3' HG22 ' A' ' 11' ' ' VAL . 0.0 OUTLIER 48.83 173.3 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 116.223 1.935 . . . . 0.0 116.223 169.748 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.7 t -133.12 -65.61 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.219 176.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -115.05 177.68 4.56 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.77 22.6 6.47 Favored Glycine 0 C--O 1.227 -0.327 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.763 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.471 ' HA ' HG22 ' A' ' 91' ' ' ILE . 64.5 ttt180 -146.88 115.23 6.67 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.03 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 72.52 151.35 0.11 Allowed 'General case' 0 N--CA 1.468 0.441 0 O-C-N 124.201 0.938 . . . . 0.0 110.077 -174.449 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.54 95.59 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.281 -176.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -135.4 16.27 4.11 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.115 178.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.409 ' O ' HG21 ' A' ' 11' ' ' VAL . 11.9 p -111.52 150.53 29.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.684 0.278 . . . . 0.0 110.743 -177.215 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.419 ' HG2' ' HB ' ' A' ' 11' ' ' VAL . 44.1 mttp -92.27 145.44 24.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.291 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 63.9 m -140.99 153.0 45.38 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.059 177.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.8 t -122.42 122.34 65.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.556 -178.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.414 HD12 ' N ' ' A' ' 24' ' ' ILE . 3.6 mp -72.51 122.97 26.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 178.424 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.429 ' HB ' HG21 ' A' ' 36' ' ' THR . 14.9 p -106.0 -28.89 2.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.63 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -150.36 133.67 16.35 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.937 0.398 . . . . 0.0 110.562 178.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 69.0 mt -95.7 108.9 21.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.125 -179.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.1 mt -97.32 -71.4 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.346 -179.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.548 ' HB2' ' H ' ' A' ' 32' ' ' PHE . 12.0 m-20 -115.36 171.49 7.67 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 178.284 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -79.91 -14.27 58.75 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.654 0.74 . . . . 0.0 109.067 170.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.768 ' O ' ' HA ' ' A' ' 50' ' ' ASN . 17.2 m120 -94.34 -40.82 9.75 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.828 178.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.548 ' H ' ' HB2' ' A' ' 29' ' ' ASP . 98.3 m-85 -139.03 122.18 16.91 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 120.609 0.242 . . . . 0.0 111.095 -177.164 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.7 m -118.04 171.61 6.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 174.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.2 tp -95.37 115.35 27.3 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 177.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.421 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 27.3 m -114.42 148.93 16.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.64 179.086 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.429 HG21 ' HB ' ' A' ' 25' ' ' VAL . 12.8 t -139.74 146.85 40.05 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.028 0.442 . . . . 0.0 110.427 -179.169 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.42 147.73 17.18 Favored Glycine 0 N--CA 1.439 -1.11 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 175.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.689 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 45.6 Cg_exo -56.04 110.6 0.59 Allowed 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 122.338 2.025 . . . . 0.0 111.416 178.504 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -66.15 -28.11 68.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.216 -176.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -83.89 -25.42 30.22 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.024 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.689 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 65.8 mt -98.94 -63.48 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.538 -175.338 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.0 p -92.97 -39.23 11.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.71 0.291 . . . . 0.0 111.05 -177.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.19 63.32 3.67 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.334 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.3 p -108.15 146.89 13.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 120.86 0.362 . . . . 0.0 110.426 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -72.71 114.12 10.5 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.759 178.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' A' ' 35' ' ' VAL . 46.1 ttp180 -79.98 108.48 13.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.711 -172.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -144.4 178.09 8.18 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -95.44 109.71 21.86 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 178.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.1 t -127.37 56.03 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 121.017 0.436 . . . . 0.0 111.632 -168.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.768 ' HA ' ' O ' ' A' ' 31' ' ' ASN . 0.9 OUTLIER 64.67 -175.97 0.17 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.762 -0.653 . . . . 0.0 112.386 175.906 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.419 ' C ' ' H ' ' A' ' 53' ' ' HIS . 47.1 mt -116.96 -49.71 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.815 174.306 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 25.6 tp -80.05 34.69 0.3 Allowed 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.603 0.716 . . . . 0.0 110.759 -176.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.419 ' H ' ' C ' ' A' ' 51' ' ' ILE . 37.2 t-80 -106.98 5.24 27.98 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.446 179.655 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.47 HD13 ' CB ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER -154.5 166.33 33.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.836 179.749 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -109.44 136.83 20.19 Favored Pre-proline 0 C--N 1.332 -0.187 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.634 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.426 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 61.5 Cg_endo -74.44 137.57 23.27 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.684 2.256 . . . . 0.0 112.405 178.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 30.9 p -82.5 170.95 14.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.671 178.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -85.74 -47.28 9.91 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 121.108 -0.237 . . . . 0.0 110.904 -178.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -88.15 144.61 26.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.085 0.469 . . . . 0.0 110.42 178.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -131.34 158.49 40.57 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.733 -170.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.3 pt -112.68 106.15 20.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 167.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -80.18 107.84 13.3 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.162 0.506 . . . . 0.0 110.99 -172.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.4 HG23 ' HG2' ' A' ' 75' ' ' LYS . 34.3 pt -113.82 -173.65 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.857 177.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -93.83 161.97 14.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.878 0.37 . . . . 0.0 110.589 177.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -79.76 125.51 29.77 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.28 -176.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.79 50.4 3.33 Favored Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -174.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.423 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . . . -101.52 -178.57 3.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.977 0.418 . . . . 0.0 111.25 -176.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.484 ' HG ' ' CD ' ' A' ' 70' ' ' GLU . 15.6 p -147.18 -169.11 3.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.683 -176.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -57.08 -42.54 80.87 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.373 0.421 . . . . 0.0 110.195 -179.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.532 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 1.6 mp0 -56.2 -52.56 63.98 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.519 179.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.423 ' HB3' ' HB3' ' A' ' 67' ' ' ALA . 3.7 tp10 -64.45 -45.95 85.25 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.944 -178.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.487 ' O ' ' HB2' ' A' ' 76' ' ' LEU . 99.6 t -60.78 -41.01 86.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.288 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.8 ttpt -66.75 -38.97 87.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.846 -178.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.532 ' HG2' ' O ' ' A' ' 70' ' ' GLU . 33.3 mmtp -58.27 -54.55 45.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.908 0.385 . . . . 0.0 110.547 177.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.4 ' HG2' HG23 ' A' ' 63' ' ' ILE . 14.3 mptt -65.39 -39.68 92.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.069 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.487 ' HB2' ' O ' ' A' ' 72' ' ' VAL . 10.4 tp -65.43 -36.42 83.88 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.608 -177.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -70.36 -44.16 68.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.098 0.475 . . . . 0.0 109.948 177.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -60.0 -42.64 94.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.704 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.3 t -86.43 -9.66 55.83 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.279 -178.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 58.46 36.95 25.66 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.728 0.775 . . . . 0.0 110.13 -178.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.451 ' HB3' HD12 ' A' ' 76' ' ' LEU . 23.0 tp -104.05 14.59 30.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.425 -174.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.439 ' HA ' ' CD2' ' A' ' 76' ' ' LEU . 6.6 m -56.95 -37.63 71.82 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.965 -176.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -61.63 -35.26 77.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.992 -177.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -61.82 -29.98 70.52 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.207 -177.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 14.5 mmt -72.9 -38.95 66.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.16 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -86.72 37.4 0.75 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.179 0.514 . . . . 0.0 110.421 -174.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -130.41 136.91 49.54 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.898 177.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -116.1 150.02 38.04 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.497 -178.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.414 HD12 ' N ' ' A' ' 89' ' ' ILE . 1.8 mp -80.36 145.53 8.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.844 -178.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.51 ' HD2' ' N ' ' A' ' 90' ' ' LYS . 11.8 mptt -90.16 96.18 10.55 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.09 -175.418 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.471 HG22 ' HA ' ' A' ' 16' ' ' ARG . 49.5 mm -72.88 99.76 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.873 178.013 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 32.8 ptt180 -78.56 133.46 37.33 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.132 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 24.6 ttt -95.21 111.07 53.63 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.6 -176.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -89.32 -177.67 1.58 Allowed 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 122.998 2.465 . . . . 0.0 112.263 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.7 p -85.12 -25.32 27.57 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.305 0.574 . . . . 0.0 110.857 178.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 37.0 tp . . . . . 0 C--O 1.252 1.185 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.183 179.435 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptm . . . . . 0 N--CA 1.481 1.111 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.591 ' HA ' ' OE2' ' A' ' 5' ' ' GLU . 18.3 Cg_exo -66.36 104.47 0.76 Allowed 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 122.258 1.972 . . . . 0.0 111.017 173.264 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.22 64.23 8.22 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.021 -173.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.42 ' N ' HD11 ' A' ' 4' ' ' ILE . 3.5 mp 52.48 82.06 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-O 121.806 0.812 . . . . 0.0 109.655 -175.111 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.591 ' OE2' ' HA ' ' A' ' 2' ' ' PRO . 48.1 mt-10 -120.95 144.39 48.5 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.113 -172.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.4 m -58.7 125.97 15.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.095 176.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.433 ' O ' HG12 ' A' ' 61' ' ' ILE . . . 118.7 -20.07 10.22 Favored Glycine 0 N--CA 1.44 -1.036 0 C-N-CA 120.238 -0.982 . . . . 0.0 112.728 -178.248 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.506 ' HB2' ' HB3' ' A' ' 60' ' ' LYS . 62.3 ttt180 -90.85 139.01 31.15 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 119.889 -0.724 . . . . 0.0 110.398 178.101 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 45.0 mt -77.54 145.97 9.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.032 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.1 p -133.39 148.02 51.8 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 174.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.538 HG12 HG13 ' A' ' 13' ' ' VAL . 15.0 p -107.5 143.97 17.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.154 0.502 . . . . 0.0 111.289 -177.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -85.1 80.91 9.08 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.538 HG13 HG12 ' A' ' 11' ' ' VAL . 13.0 m -64.25 -41.38 92.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.461 -0.79 . . . . 0.0 112.302 -174.743 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -82.56 42.67 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.089 0.471 . . . . 0.0 111.211 -176.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -103.98 -63.23 0.68 Allowed Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 111.704 -0.558 . . . . 0.0 111.704 176.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -178.53 -67.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 122.894 0.478 . . . . 0.0 109.774 177.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.439 ' HB3' ' HB2' ' A' ' 90' ' ' LYS . 40.0 mt-10 -104.85 -13.25 15.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.82 -178.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 64.35 53.72 1.65 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.957 175.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -111.54 -16.95 8.98 Favored Glycine 0 C--O 1.238 0.378 0 C-N-CA 120.404 -0.903 . . . . 0.0 111.783 176.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.6 m -79.75 125.0 29.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.886 0.374 . . . . 0.0 110.249 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -117.81 155.07 30.71 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.152 -177.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 75.3 m -140.58 152.97 45.91 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.854 176.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.3 t -106.95 135.5 45.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.188 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.46 ' HA ' HG11 ' A' ' 35' ' ' VAL . 53.2 mt -70.66 108.78 2.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 176.416 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.1 m -105.16 -25.12 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.722 -175.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -158.64 152.51 23.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.869 0.366 . . . . 0.0 110.713 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.9 mt -110.29 115.31 49.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 177.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 47.0 mm -86.07 -49.64 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.17 -175.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.521 ' CG ' ' H ' ' A' ' 30' ' ' ASP . 13.8 t70 -136.66 -162.85 1.33 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -175.223 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.521 ' H ' ' CG ' ' A' ' 29' ' ' ASP . 11.8 t70 -81.36 -45.24 16.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.712 0.768 . . . . 0.0 109.05 178.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.414 ' OD1' ' HB2' ' A' ' 50' ' ' ASN . 31.2 t30 -93.74 -32.31 14.06 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.576 -178.528 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.453 ' HA ' ' HA ' ' A' ' 50' ' ' ASN . 22.8 m-85 -100.39 136.65 39.95 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.577 -176.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.6 m -133.01 168.5 24.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.208 178.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 46.0 tp -111.91 115.48 29.04 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.247 0.546 . . . . 0.0 109.942 178.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.46 HG11 ' HA ' ' A' ' 24' ' ' ILE . 27.5 m -125.19 149.83 30.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.033 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.8 t -152.18 146.65 25.63 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.492 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -102.51 112.61 4.34 Favored Glycine 0 N--CA 1.444 -0.816 0 N-CA-C 110.231 -1.148 . . . . 0.0 110.231 174.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.46 ' HD2' ' HE1' ' A' ' 85' ' ' MET . 48.2 Cg_exo -29.85 114.88 0.05 OUTLIER 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 124.475 3.45 . . . . 0.0 113.337 -174.284 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.553 ' HA ' ' HA2' ' A' ' 43' ' ' GLY . 85.2 tttt -66.91 -34.28 77.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.459 -171.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.57 ' HB3' ' HE2' ' A' ' 73' ' ' LYS . 31.9 t70 -73.09 -21.16 60.81 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.945 -178.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 59.5 mt -106.01 -70.1 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.877 -177.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -86.87 -40.68 14.65 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.965 -176.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.553 ' HA2' ' HA ' ' A' ' 39' ' ' LYS . . . 84.64 35.17 14.12 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.981 177.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.1 t -90.03 122.89 41.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.782 0.325 . . . . 0.0 110.724 -177.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -73.74 112.04 9.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.804 177.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -71.97 149.94 44.55 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.057 -175.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.2 mtp180 -139.8 160.66 39.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.666 176.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -83.95 108.01 16.67 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 177.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 30.6 m -126.27 178.55 4.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.056 0.455 . . . . 0.0 111.624 -173.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.453 ' HA ' ' HA ' ' A' ' 32' ' ' PHE . 29.6 p-10 -116.14 168.51 10.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.9 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.3 mm -65.26 -29.97 48.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.215 -176.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.0 mp -76.98 30.45 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 -171.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -144.48 5.74 1.24 Allowed 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 178.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.8 pp -151.82 162.72 40.58 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -176.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.415 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 11.7 pt-20 -138.54 148.13 57.7 Favored Pre-proline 0 N--CA 1.451 -0.42 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.018 175.397 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 55' ' ' GLU . 14.2 Cg_exo -69.4 146.94 64.02 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.97 2.446 . . . . 0.0 112.77 -179.017 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.3 p -130.68 143.98 51.12 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.461 -179.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.495 ' CG ' ' H ' ' A' ' 59' ' ' LYS . 6.3 t70 55.9 -151.74 0.39 Allowed 'General case' 0 CA--C 1.536 0.417 0 O-C-N 124.054 0.846 . . . . 0.0 111.692 173.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.495 ' H ' ' CG ' ' A' ' 58' ' ' ASP . 29.5 mtmm -94.18 166.87 11.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.668 -174.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.506 ' HB3' ' HB2' ' A' ' 8' ' ' ARG . 3.4 ptmm? -103.66 154.39 19.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.983 0.421 . . . . 0.0 111.213 178.024 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.433 HG12 ' O ' ' A' ' 7' ' ' GLY . 29.8 pt -96.51 152.32 3.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 169.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -85.15 94.01 8.78 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.167 0.508 . . . . 0.0 111.703 -176.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.532 ' CG2' ' HG3' ' A' ' 75' ' ' LYS . 30.6 pt -134.58 173.47 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.486 174.261 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -121.97 172.36 8.27 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.582 178.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -56.77 123.42 14.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.181 -174.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.94 47.27 1.27 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.33 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -96.07 132.63 41.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.689 -0.301 . . . . 0.0 111.049 -179.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.6 m -93.08 171.63 8.82 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.842 179.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -54.21 -50.6 66.74 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 122.726 0.41 . . . . 0.0 111.132 178.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -57.99 -44.85 87.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.804 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.573 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 5.0 tp10 -58.51 -55.81 30.19 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.638 179.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 96.3 t -59.84 -39.3 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-O 121.119 0.485 . . . . 0.0 110.634 -179.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.57 ' HE2' ' HB3' ' A' ' 40' ' ' ASP . 33.6 ttmt -56.94 -48.78 77.51 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.955 178.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.474 ' O ' ' HB3' ' A' ' 77' ' ' GLU . 9.1 tmtm? -72.65 -36.37 67.96 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.626 -176.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.573 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 74.9 mmtt -65.64 -45.7 82.01 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.803 0.335 . . . . 0.0 110.602 177.178 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 39.0 tp -63.09 -30.36 71.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.228 0.537 . . . . 0.0 110.05 177.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.474 ' HB3' ' O ' ' A' ' 74' ' ' LYS . 45.2 tt0 -63.7 -48.14 78.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.354 176.377 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -61.01 -49.38 77.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.205 178.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.4 m -66.71 -27.34 67.55 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 120.832 0.349 . . . . 0.0 110.888 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 65.65 52.9 1.26 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.784 178.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -117.37 22.64 12.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.888 176.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.3 m -54.93 -39.59 68.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.801 -177.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -59.52 -43.86 93.32 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.309 -178.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -65.12 -34.21 77.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.022 -177.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.46 ' HE1' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -80.71 -51.56 8.54 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.881 -176.472 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -66.31 -41.38 89.8 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.421 -175.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -71.4 128.07 34.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.444 0.64 . . . . 0.0 109.79 179.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -94.86 91.84 6.64 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.523 0.677 . . . . 0.0 110.647 -177.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 4.7 mp -86.35 133.13 30.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.138 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.439 ' HB2' ' HB3' ' A' ' 17' ' ' GLU . 60.9 pttt -143.65 168.0 20.94 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 120.691 0.281 . . . . 0.0 110.716 -174.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 68.3 mt -121.54 126.34 74.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.743 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -150.48 146.83 26.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.067 176.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.438 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 25.9 ptt? -134.65 125.19 17.36 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-O 120.838 0.351 . . . . 0.0 110.465 178.208 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 93' ' ' MET . 6.5 Cg_exo -74.77 124.92 9.09 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.818 2.345 . . . . 0.0 111.373 174.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.6 p -112.38 123.76 50.99 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.103 0.478 . . . . 0.0 111.096 -177.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.632 HD22 ' H ' ' A' ' 96' ' ' LEU . 1.2 pt? . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.391 -0.814 . . . . 0.0 110.051 179.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.3 ttm . . . . . 0 N--CA 1.475 0.812 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.86 105.02 0.13 Allowed 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.719 2.279 . . . . 0.0 112.332 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -128.39 120.76 27.59 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.499 179.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.6 mm 58.02 88.39 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.808 178.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.536 ' OE2' ' HD2' ' A' ' 8' ' ' ARG . 0.6 OUTLIER -139.46 177.4 7.96 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.012 176.083 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.438 ' HB ' HD11 ' A' ' 63' ' ' ILE . 6.2 m -72.41 121.91 23.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.32 0.581 . . . . 0.0 111.348 -178.426 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.03 4.14 48.13 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.365 -179.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.536 ' HD2' ' OE2' ' A' ' 5' ' ' GLU . 39.6 ttt85 -83.61 121.77 27.69 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.825 0.345 . . . . 0.0 110.738 -179.409 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.77 HG13 HG23 ' A' ' 23' ' ' VAL . 3.1 mp -81.22 133.08 30.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 175.176 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.4 m -126.21 145.08 50.53 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.896 178.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.0 p -102.68 149.83 6.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.043 0.449 . . . . 0.0 110.189 -179.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -76.83 132.75 39.36 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.423 -179.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.4 t -85.48 41.77 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 122.082 0.944 . . . . 0.0 109.37 178.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.5 tttt -87.56 82.02 7.57 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 175.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.27 -112.41 4.22 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -172.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -158.44 14.42 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.936 0.398 . . . . 0.0 110.387 174.173 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -133.3 -70.03 0.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 -176.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 70.42 130.01 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.459 0 O-C-N 124.241 0.963 . . . . 0.0 112.626 175.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.83 24.34 31.73 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.462 175.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.3 m -129.02 106.48 8.91 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.004 0.431 . . . . 0.0 110.788 -178.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -103.27 144.31 31.52 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.479 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 61.8 m -139.77 152.79 46.88 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.659 0.266 . . . . 0.0 110.58 -178.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.77 HG23 HG13 ' A' ' 9' ' ' ILE . 45.4 t -112.35 132.45 61.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.53 -177.661 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 63.8 mt -78.89 109.82 13.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 175.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.2 t -101.87 -27.59 3.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.738 -178.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.401 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 18.2 t0 -138.78 129.98 26.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.148 0.499 . . . . 0.0 111.022 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 57.2 mt -99.56 97.98 6.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.452 -0.795 . . . . 0.0 108.884 175.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 24.9 mt -74.92 -57.6 6.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.62 -175.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -118.34 -177.31 3.26 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.073 176.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -76.7 -40.21 49.5 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.166 0.507 . . . . 0.0 110.105 178.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -95.19 -14.62 23.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.228 -179.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.596 ' CE2' ' HB3' ' A' ' 48' ' ' ARG . 3.2 t80 -123.91 123.37 40.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.437 -171.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.4 m -125.23 169.76 16.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.989 0.423 . . . . 0.0 111.361 -176.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.401 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . 51.3 tp -111.88 116.25 30.34 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.605 177.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 31.5 m -112.86 149.13 15.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.35 0.595 . . . . 0.0 110.996 -178.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.6 t -166.67 -177.19 3.81 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.328 -0.851 . . . . 0.0 108.761 177.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.96 167.74 30.0 Favored Glycine 0 N--CA 1.441 -1.003 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.652 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 22.8 Cg_exo -63.84 125.33 15.16 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.223 1.949 . . . . 0.0 110.63 175.056 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.478 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 11.5 mptt -77.55 -25.51 50.15 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.216 0.531 . . . . 0.0 110.037 -176.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -83.3 -16.49 46.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.703 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.652 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 64.5 mt -108.34 -51.51 7.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.683 -178.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.5 m -112.56 -48.66 3.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.713 0.292 . . . . 0.0 111.109 -174.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.426 ' HA2' ' HA ' ' A' ' 39' ' ' LYS . . . 101.21 22.86 10.15 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.767 -179.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.447 ' O ' ' HE3' ' A' ' 39' ' ' LYS . 52.8 t -86.41 123.42 39.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.842 0.353 . . . . 0.0 110.395 178.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -79.95 179.37 7.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.678 -178.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -89.64 126.06 35.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.74 179.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -149.38 152.46 35.8 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.246 175.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.596 ' HB3' ' CE2' ' A' ' 32' ' ' PHE . 72.0 mtm180 -90.77 144.43 25.73 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 177.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.0 p -152.6 156.96 5.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.894 0.378 . . . . 0.0 110.53 -179.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.5 p30 -90.59 161.5 15.4 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.823 176.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.9 pt -83.59 5.67 2.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.011 0.434 . . . . 0.0 111.247 179.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.0 mp -85.47 -10.65 55.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.488 -174.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 24.0 t60 -131.81 30.76 4.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.07 0.462 . . . . 0.0 110.631 -178.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.7 mt -129.38 140.75 51.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.042 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -120.4 141.14 31.4 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.116 173.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -79.43 141.16 15.7 Favored 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 122.589 2.193 . . . . 0.0 112.774 -177.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.6 p -81.68 172.83 12.95 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.403 175.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -66.86 -35.4 79.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.039 0.447 . . . . 0.0 110.956 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -120.64 145.42 47.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.562 -173.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.633 ' HA ' HD13 ' A' ' 9' ' ' ILE . 1.0 OUTLIER -141.92 -177.05 5.02 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.246 174.062 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 38.1 pt -122.78 175.58 5.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -124.2 110.72 15.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.668 0.27 . . . . 0.0 110.6 -176.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.438 HD11 ' HB ' ' A' ' 6' ' ' VAL . 2.4 pp -137.92 -179.79 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.486 177.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.527 ' NE2' ' H ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -104.62 155.39 18.89 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 175.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.527 ' H ' ' NE2' ' A' ' 64' ' ' GLN . 28.5 ttmt -59.5 136.32 57.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.047 0.451 . . . . 0.0 110.799 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.56 30.66 12.95 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.05 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.05 141.28 40.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.758 0.313 . . . . 0.0 110.729 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.8 p -84.71 172.18 11.73 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.642 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 14.6 t70 -57.05 -36.54 70.63 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.528 0.68 . . . . 0.0 109.543 175.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.54 ' O ' ' HG3' ' A' ' 74' ' ' LYS . 0.8 OUTLIER -75.11 -39.23 60.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.405 -178.649 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -65.49 -46.51 79.44 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.85 0.357 . . . . 0.0 110.505 178.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 86.2 t -61.98 -38.51 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 175.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.573 ' HG3' HD11 ' A' ' 41' ' ' ILE . 34.3 ttmt -60.12 -43.87 95.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.965 177.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.54 ' HG3' ' O ' ' A' ' 70' ' ' GLU . 67.6 mttm -56.24 -58.27 8.68 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-O 120.983 0.421 . . . . 0.0 110.565 177.378 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.1 mmtt -66.26 -37.37 85.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.455 -176.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.45 HD21 HD12 ' A' ' 41' ' ' ILE . 25.2 tp -62.18 -41.66 98.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.066 0.46 . . . . 0.0 109.778 178.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.407 ' HA ' ' HG1' ' A' ' 82' ' ' THR . 0.9 OUTLIER -68.62 -47.28 67.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.847 177.321 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -56.41 -48.9 76.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.986 -178.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.0 m -77.06 -6.03 51.14 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.841 0.311 . . . . 0.0 111.841 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.427 ' N ' HD21 ' A' ' 80' ' ' ASN . 0.9 OUTLIER 69.35 27.36 5.07 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 122.759 0.424 . . . . 0.0 111.548 177.239 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.433 HD11 ' HA ' ' A' ' 81' ' ' LEU . 3.2 mm? -96.29 0.82 51.37 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.458 -178.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.407 ' HG1' ' HA ' ' A' ' 77' ' ' GLU . 10.8 m -57.6 -46.03 84.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.579 -177.428 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -62.33 -49.83 74.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.186 0.517 . . . . 0.0 110.424 -177.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -68.51 -28.25 66.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.414 -177.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.47 -44.52 51.15 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -70.24 -26.56 63.9 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.103 -178.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -58.59 121.59 11.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.076 -179.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.676 ' HD3' ' H ' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -106.79 159.87 15.91 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.295 -178.872 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 47.5 mm -96.59 142.37 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.044 178.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -77.85 128.46 34.02 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.377 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 62.4 mt -78.24 119.97 28.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.084 0.469 . . . . 0.0 110.479 179.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -96.98 96.44 8.5 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.452 177.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -61.18 122.59 70.93 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.84 -178.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -58.23 -36.85 97.37 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.245 2.63 . . . . 0.0 112.096 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.1 m 72.22 128.74 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.077 177.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.8 tm? . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.578 -0.725 . . . . 0.0 109.057 174.077 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.9 mtp . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -71.46 103.68 1.46 Allowed 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.305 2.003 . . . . 0.0 112.322 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -125.87 106.77 9.9 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.9 mm 60.82 87.11 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 121.605 0.717 . . . . 0.0 109.177 -169.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -147.88 142.59 26.66 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.448 -0.797 . . . . 0.0 109.886 -171.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.557 HG12 ' HG3' ' A' ' 65' ' ' LYS . 26.0 m -60.08 139.43 19.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.242 0.544 . . . . 0.0 110.717 -179.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.38 -22.69 39.42 Favored Glycine 0 N--CA 1.443 -0.881 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.276 -178.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -87.17 137.96 31.9 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.422 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.519 HG12 HG22 ' A' ' 23' ' ' VAL . 45.8 mt -75.71 145.09 11.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.09 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.406 ' SG ' ' HA ' ' A' ' 56' ' ' PRO . 72.9 m -136.91 155.6 49.55 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 176.492 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.644 HG23 ' HB2' ' A' ' 18' ' ' ALA . 12.2 p -133.03 151.64 34.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.832 -175.318 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.551 ' HD3' ' HB3' ' A' ' 20' ' ' SER . 12.1 mptt -64.39 125.88 26.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.323 176.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.3 t -71.45 -36.36 60.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.641 -178.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -88.23 100.0 12.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.217 0.532 . . . . 0.0 109.653 178.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 155.45 110.83 0.36 Allowed Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 -176.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.1 mtt180 -64.68 -38.34 90.68 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -171.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -83.08 -13.33 55.94 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.644 ' HB2' HG23 ' A' ' 11' ' ' VAL . . . 54.98 40.56 32.08 Favored 'General case' 0 C--O 1.232 0.133 0 O-C-N 123.838 0.711 . . . . 0.0 109.69 -174.015 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.78 31.58 1.96 Allowed Glycine 0 C--N 1.333 0.376 0 CA-C-N 115.014 -0.994 . . . . 0.0 113.993 -172.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.551 ' HB3' ' HD3' ' A' ' 12' ' ' LYS . 21.0 t -148.26 92.06 1.98 Allowed 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.505 0.669 . . . . 0.0 109.675 173.508 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt -103.13 142.34 34.31 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.737 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 73.0 m -148.65 154.69 40.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.255 -178.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.519 HG22 HG12 ' A' ' 9' ' ' ILE . 47.5 t -104.03 140.58 21.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 178.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 56.1 mt -71.14 96.93 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 173.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.431 ' HB ' ' O ' ' A' ' 67' ' ' ALA . 32.8 m -87.26 -28.48 5.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.277 -174.475 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -163.4 152.68 14.7 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.409 -176.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.418 HG22 HG12 ' A' ' 33' ' ' VAL . 60.0 mt -103.98 117.74 50.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.024 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.517 HD12 HD11 ' A' ' 34' ' ' LEU . 49.7 mm -82.89 -58.94 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.21 0.528 . . . . 0.0 111.022 -176.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.538 ' CG ' ' H ' ' A' ' 30' ' ' ASP . 22.0 t70 -119.32 -165.25 1.13 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.153 -0.931 . . . . 0.0 108.848 -175.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.538 ' H ' ' CG ' ' A' ' 29' ' ' ASP . 21.0 t70 -89.26 -26.78 21.0 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-O 121.606 0.717 . . . . 0.0 109.298 176.68 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -105.85 -25.2 12.25 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.135 -0.938 . . . . 0.0 110.551 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -114.04 136.71 52.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.84 -174.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.418 HG12 HG22 ' A' ' 27' ' ' ILE . 26.8 m -121.71 170.99 11.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.431 176.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.517 HD11 HD12 ' A' ' 28' ' ' ILE . 4.9 tt -109.2 116.46 31.96 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.44 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.4 m -122.3 136.01 60.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.251 178.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.3 t -150.97 174.73 12.8 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.973 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -133.63 141.09 12.39 Favored Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo -47.71 133.98 21.97 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 123.715 2.943 . . . . 0.0 112.527 -176.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -56.82 -58.56 7.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.481 -171.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -72.45 -16.18 61.82 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.724 -172.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.419 HD13 HG22 ' A' ' 82' ' ' THR . 68.7 mt -98.53 -52.93 8.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.971 0.415 . . . . 0.0 111.081 -175.603 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.2 m -115.26 -59.34 2.02 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.519 -178.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.03 67.27 1.48 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.748 178.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.5 t -120.73 110.28 27.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 122.72 -0.282 . . . . 0.0 110.799 179.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -66.74 136.95 56.27 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 177.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.07 149.55 25.48 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.234 0.54 . . . . 0.0 112.44 -168.368 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 53.5 mtm180 -143.84 161.73 37.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.02 -0.991 . . . . 0.0 108.753 170.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 67.7 mtt85 -68.82 110.54 4.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.799 0.333 . . . . 0.0 111.157 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 56.5 t -113.78 138.97 41.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.8 p30 -88.35 158.26 18.47 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.053 0.454 . . . . 0.0 110.992 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 30.1 pt -83.74 10.38 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.999 -176.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -95.32 -32.45 12.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.904 0.383 . . . . 0.0 110.82 -179.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -107.79 21.65 17.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.087 0.47 . . . . 0.0 110.398 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 46.2 tp -132.32 127.93 36.62 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.034 -178.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.431 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 44.9 mt-10 -116.82 140.94 27.49 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 178.007 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 55' ' ' GLU . 3.7 Cg_exo -78.81 144.15 19.08 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 123.029 2.486 . . . . 0.0 113.05 -174.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.0 m -83.73 164.31 19.68 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.24 175.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -65.29 -29.35 70.1 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -175.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -88.33 146.94 25.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.142 0.496 . . . . 0.0 112.14 -173.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 67.0 tttt -147.27 131.74 17.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.186 177.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.2 pt -98.52 112.45 30.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 171.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -77.65 101.52 6.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.015 0.436 . . . . 0.0 110.765 -174.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 12.5 pt -134.7 -177.37 2.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.373 -178.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -75.11 154.84 37.62 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.718 177.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.557 ' HG3' HG12 ' A' ' 6' ' ' VAL . 28.9 ttpp -69.37 130.2 41.89 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 178.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.21 54.12 0.81 Allowed Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 110.619 -0.993 . . . . 0.0 110.619 -173.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.431 ' O ' ' HB ' ' A' ' 25' ' ' VAL . . . -76.92 113.29 14.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.04 0.448 . . . . 0.0 111.28 -176.338 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.9 m -86.76 166.44 15.25 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.415 177.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 10.0 t70 -52.35 -38.44 58.7 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.193 0.52 . . . . 0.0 110.35 176.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.537 ' HG2' ' HE3' ' A' ' 74' ' ' LYS . 22.5 tt0 -59.85 -53.03 62.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.665 177.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.0 tp10 -62.75 -47.49 83.3 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.786 -175.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 71.5 t -62.0 -38.56 81.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.452 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 69' ' ' ASP . 30.3 ttmt -64.64 -44.45 90.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.691 -177.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.537 ' HE3' ' HG2' ' A' ' 70' ' ' GLU . 99.6 mttt -60.25 -56.83 16.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.846 179.133 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.6 -29.47 65.88 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.298 -172.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.433 HD22 ' HG3' ' A' ' 85' ' ' MET . 46.7 tp -68.54 -37.42 79.96 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.104 176.249 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.74 -43.77 95.49 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 177.644 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -62.31 -36.72 83.01 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.278 177.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.8 t -73.59 -23.58 59.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.267 -177.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.7 m120 70.49 14.64 7.32 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 123.579 0.549 . . . . 0.0 111.393 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -95.64 17.39 14.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.119 0.485 . . . . 0.0 110.655 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.419 HG22 HD13 ' A' ' 41' ' ' ILE . 1.8 m -56.93 -43.99 82.03 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.411 -178.293 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -60.03 -38.02 81.49 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.76 -177.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -60.69 -27.43 67.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.439 -178.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.433 ' HG3' HD22 ' A' ' 76' ' ' LEU . 21.9 mmt -71.8 -45.02 62.92 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.324 -178.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -86.63 -28.96 22.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.612 0.244 . . . . 0.0 111.304 -174.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -70.6 135.93 48.82 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 176.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 63.1 mttp 59.45 85.8 0.1 Allowed 'General case' 0 C--O 1.235 0.337 0 O-C-N 123.734 0.646 . . . . 0.0 110.996 -173.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 14.6 tt -138.21 153.41 26.71 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.518 177.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.656 ' HE3' ' HA ' ' A' ' 90' ' ' LYS . 1.0 OUTLIER -91.55 91.09 7.9 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.038 -178.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.0 mp -76.76 99.56 2.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -133.15 105.74 7.2 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.446 -176.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 22.7 ptt? -119.93 95.86 49.27 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-O 121.296 0.569 . . . . 0.0 110.521 177.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -79.43 -31.75 1.95 Allowed 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 123.162 2.575 . . . . 0.0 112.815 -179.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.0 m -116.82 116.8 28.16 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.741 -178.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 54.3 tp . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.484 -0.769 . . . . 0.0 109.991 179.338 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.477 0.915 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.36 104.33 0.75 Allowed 'Trans proline' 0 C--O 1.237 0.444 0 C-N-CA 122.488 2.125 . . . . 0.0 112.623 -176.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.97 106.6 12.12 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.568 173.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.476 HG23 HD12 ' A' ' 24' ' ' ILE . 86.0 mt 69.02 96.91 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-O 121.501 0.667 . . . . 0.0 110.583 -175.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -143.59 157.08 44.69 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.219 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.501 HG13 ' HG3' ' A' ' 65' ' ' LYS . 21.4 m -61.85 139.94 19.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.208 0.527 . . . . 0.0 111.55 -179.054 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 61' ' ' ILE . . . 88.5 -8.16 79.75 Favored Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.759 178.635 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.9 ttt180 -94.27 133.82 37.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.899 0.381 . . . . 0.0 110.145 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.677 HG13 HG22 ' A' ' 23' ' ' VAL . 4.0 mp -80.97 132.47 31.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.191 -178.513 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.8 p -118.75 154.59 32.55 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.728 176.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.0 p -110.89 144.0 19.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 120.881 0.372 . . . . 0.0 110.714 -178.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.769 ' HE2' ' HB3' ' A' ' 14' ' ' LYS . 1.8 tmtp? -72.72 102.22 3.28 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 177.121 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.4 p -119.6 62.3 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 122.764 1.268 . . . . 0.0 110.234 -175.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.769 ' HB3' ' HE2' ' A' ' 12' ' ' LYS . 13.2 tmtt? -128.48 -39.3 1.68 Allowed 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.112 -1.404 . . . . 0.0 109.178 174.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -93.42 -151.71 28.36 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.281 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -111.14 -16.87 13.35 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.48 0.657 . . . . 0.0 109.846 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.19 101.71 13.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.68 176.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -101.64 24.46 9.75 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.084 -176.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.58 22.53 20.28 Favored Glycine 0 C--N 1.319 -0.398 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.811 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.9 m -116.57 98.96 6.83 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.968 0.413 . . . . 0.0 110.319 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -95.9 128.71 43.02 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.179 174.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 34.1 m -127.78 143.02 51.15 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.054 0.454 . . . . 0.0 110.199 -179.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.677 HG22 HG13 ' A' ' 9' ' ' ILE . 47.1 t -97.71 133.31 40.09 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.922 -178.37 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.476 HD12 HG23 ' A' ' 4' ' ' ILE . 57.2 mt -73.37 99.78 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 175.087 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 62.1 t -83.65 -46.56 18.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.043 -173.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.568 ' HB2' ' HA2' ' A' ' 66' ' ' GLY . 33.2 t70 -141.97 126.2 17.51 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 -178.048 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 67.4 mt -85.7 109.82 18.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.269 175.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 40.7 mt -96.34 -59.92 2.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.315 0.578 . . . . 0.0 110.408 -176.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.522 ' CG ' ' H ' ' A' ' 30' ' ' ASP . 16.9 t70 -110.24 -163.38 0.85 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.273 -0.876 . . . . 0.0 108.866 -178.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.522 ' H ' ' CG ' ' A' ' 29' ' ' ASP . 17.6 t70 -93.77 -33.96 13.38 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 177.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.575 ' O ' ' HA ' ' A' ' 50' ' ' ASN . 58.7 t30 -114.91 1.35 14.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.468 -179.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.519 ' HB2' ' HB3' ' A' ' 29' ' ' ASP . 62.1 m-85 -129.48 121.31 27.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.84 178.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.572 HG23 HG12 ' A' ' 35' ' ' VAL . 33.9 m -132.04 169.04 22.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 176.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.6 tt -94.56 115.62 27.8 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 176.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.572 HG12 HG23 ' A' ' 33' ' ' VAL . 16.0 m -124.7 143.54 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.583 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.0 t -172.09 -175.19 1.41 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.527 177.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.404 ' N ' ' HB ' ' A' ' 44' ' ' VAL . . . -135.7 138.85 10.26 Favored Glycine 0 N--CA 1.442 -0.921 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 178.315 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.594 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 90.8 Cg_exo -43.39 132.74 6.92 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 123.467 2.778 . . . . 0.0 112.898 -176.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.14 -8.71 57.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.046 -0.525 . . . . 0.0 112.035 -171.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.615 ' HB2' ' HE2' ' A' ' 73' ' ' LYS . 40.2 m-20 -103.13 -4.45 24.44 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.975 173.461 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.594 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 66.1 mt -121.74 -63.18 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 121.016 -0.273 . . . . 0.0 111.697 -175.142 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -97.33 -51.24 4.24 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.883 0.373 . . . . 0.0 111.136 -173.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.76 52.82 4.23 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.385 -178.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.404 ' HB ' ' N ' ' A' ' 37' ' ' GLY . 58.1 t -95.2 146.92 6.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 122.662 -0.317 . . . . 0.0 110.227 -179.524 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.493 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -81.91 138.4 35.02 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.008 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -80.88 116.6 20.94 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.143 -0.48 . . . . 0.0 112.026 -173.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 47' ' ' ARG . 8.7 mtt180 -148.48 150.1 32.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.037 172.187 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 71.5 mtm180 -105.78 122.07 45.34 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 175.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 20.6 m -130.99 176.74 8.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.232 -176.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.575 ' HA ' ' O ' ' A' ' 31' ' ' ASN . 13.0 m120 -77.55 127.99 33.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.31 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.427 HG13 ' HA ' ' A' ' 31' ' ' ASN . 2.8 pp -72.24 -2.95 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -174.178 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.21 -21.1 66.45 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -177.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.9 m80 -116.7 22.42 12.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.02 0.438 . . . . 0.0 110.959 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -118.01 126.44 52.32 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 173.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -120.21 134.51 24.08 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -73.61 155.22 49.87 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.847 2.365 . . . . 0.0 112.911 -175.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.503 ' HB ' ' OH ' ' A' ' 84' ' ' TYR . 28.4 p -93.63 -170.87 2.46 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.831 177.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -61.35 -56.03 25.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.08 0.467 . . . . 0.0 112.116 -176.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -113.19 165.78 12.08 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.344 0.592 . . . . 0.0 112.359 -166.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -141.01 156.56 46.01 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.231 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.571 HD13 HG12 ' A' ' 72' ' ' VAL . 22.3 pt -106.57 122.41 60.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 169.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -78.98 101.2 7.65 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.121 0.486 . . . . 0.0 110.955 -172.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.9 pt -120.3 -178.13 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.633 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -85.56 149.29 25.46 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.886 177.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.501 ' HG3' HG13 ' A' ' 6' ' ' VAL . 23.4 ttpp -66.49 110.13 3.03 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.568 ' HA2' ' HB2' ' A' ' 26' ' ' ASP . . . 94.89 44.79 3.26 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.989 -178.117 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.7 174.75 10.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.073 0.463 . . . . 0.0 111.294 -179.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.8 m -106.51 167.51 9.79 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.338 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -51.49 -46.31 63.14 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.42 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -61.1 -42.1 97.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.545 -175.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -67.03 -48.68 67.6 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.86 0.362 . . . . 0.0 110.524 -178.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.571 HG12 HD13 ' A' ' 61' ' ' ILE . 84.2 t -57.82 -47.16 86.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.372 0.606 . . . . 0.0 110.245 178.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.615 ' HE2' ' HB2' ' A' ' 40' ' ' ASP . 27.3 ttmt -57.21 -49.27 76.53 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.115 178.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 30.2 tttm -65.68 -43.03 90.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.464 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.531 ' HE3' ' HA ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -59.85 -39.98 87.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.793 179.859 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 50.1 mt -60.6 -50.71 72.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.674 176.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -61.51 -50.8 71.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.855 178.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -58.95 -37.61 77.14 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.634 -1.166 . . . . 0.0 111.82 -174.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.6 m -93.48 -1.73 55.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.379 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.5 m120 63.82 27.49 14.58 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.471 -178.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 81' ' ' LEU . 3.4 mm? -89.15 12.88 14.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.023 0.44 . . . . 0.0 110.502 178.164 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.3 m -59.55 -41.62 90.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.123 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -60.78 -51.03 71.07 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 120.913 0.387 . . . . 0.0 110.973 -178.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.503 ' OH ' ' HB ' ' A' ' 57' ' ' THR . 41.1 t80 -65.33 -20.77 66.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.669 -174.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.39 -45.93 5.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.66 0.267 . . . . 0.0 110.937 -177.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -63.99 -33.12 75.0 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.088 0.47 . . . . 0.0 110.704 -178.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -63.73 136.46 57.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.098 178.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -141.3 122.94 15.16 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.724 0.297 . . . . 0.0 110.427 178.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -103.8 161.16 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.558 -176.469 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 58.51 65.73 1.21 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.105 177.157 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.4 ' N ' HD13 ' A' ' 91' ' ' ILE . 4.5 mp -86.51 122.1 38.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.947 179.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.515 ' HG2' ' HG2' ' A' ' 93' ' ' MET . 46.9 ttt180 -77.19 128.38 34.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.13 178.087 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.515 ' HG2' ' HG2' ' A' ' 92' ' ' ARG . 23.0 mmt 68.54 108.11 0.03 OUTLIER Pre-proline 0 N--CA 1.465 0.284 0 O-C-N 123.982 0.802 . . . . 0.0 111.583 -179.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -60.81 133.68 49.36 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.492 2.128 . . . . 0.0 111.782 176.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.7 m -67.7 -25.81 65.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.256 0.55 . . . . 0.0 111.096 -178.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 96.6 mt . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.258 -0.877 . . . . 0.0 109.863 178.681 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.1 ptp . . . . . 0 N--CA 1.481 1.096 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.468 ' CB ' ' HD2' ' A' ' 56' ' ' PRO . 21.3 Cg_endo -61.58 106.84 0.45 Allowed 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.693 2.262 . . . . 0.0 111.656 173.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.416 ' O ' ' HG2' ' A' ' 8' ' ' ARG . . . -118.37 137.79 52.87 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.135 -175.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.452 HD11 ' N ' ' A' ' 4' ' ' ILE . 4.1 mp -86.29 91.44 3.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.417 ' HB2' ' HB2' ' A' ' 8' ' ' ARG . 58.3 mm-40 -133.58 155.36 49.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.558 -175.362 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.9 m -76.28 125.28 35.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 174.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.69 3.67 64.23 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.929 -175.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.53 ' HD2' ' O ' ' A' ' 57' ' ' THR . 5.7 tpp180 -88.89 127.34 35.64 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.955 0.407 . . . . 0.0 110.446 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.449 HG21 ' HE3' ' A' ' 85' ' ' MET . 70.2 mt -76.87 129.12 37.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.521 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.632 ' HA ' ' HA ' ' A' ' 56' ' ' PRO . 44.7 m -114.84 142.55 46.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.254 178.441 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.9 p -128.53 148.53 32.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.364 0.602 . . . . 0.0 110.933 -177.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.601 ' HB3' ' HB2' ' A' ' 20' ' ' SER . 22.3 tptm -92.85 121.64 34.42 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.507 -179.519 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.8 m -81.79 -5.1 8.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.296 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.458 ' H ' ' HG3' ' A' ' 12' ' ' LYS . 33.6 mmtm -135.25 100.91 4.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.028 0.442 . . . . 0.0 110.696 178.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.507 ' O ' ' HB2' ' A' ' 16' ' ' ARG . . . 143.5 55.53 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -176.341 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.507 ' HB2' ' O ' ' A' ' 15' ' ' GLY . 11.0 mpt_? 74.38 150.56 0.11 Allowed 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.519 0.728 . . . . 0.0 110.035 -172.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -56.2 94.5 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 O-C-N 123.386 0.429 . . . . 0.0 111.41 -178.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 54.49 31.03 13.99 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.503 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.91 -11.36 85.29 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.065 -179.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.601 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 15.8 m -115.46 108.72 16.85 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 175.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.43 ' HE2' ' O ' ' A' ' 84' ' ' TYR . 46.8 mttp -125.72 143.22 51.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.958 179.233 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.405 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 77.4 m -148.99 155.92 41.51 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.4 p -117.25 134.96 59.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 120.656 0.265 . . . . 0.0 110.54 178.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 65.3 mt -73.64 109.66 6.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.339 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 63.1 t -88.66 -53.56 9.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.153 -178.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -138.96 140.3 38.22 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.362 -176.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.46 HG21 HG12 ' A' ' 33' ' ' VAL . 56.4 mt -106.17 110.62 32.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 120.925 0.393 . . . . 0.0 109.953 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.429 HD12 ' HB2' ' A' ' 34' ' ' LEU . 4.5 mp -94.98 -65.91 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.09 -178.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.756 ' HB2' ' HB2' ' A' ' 32' ' ' PHE . 5.7 m-20 -94.92 -176.64 3.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.746 179.419 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -71.11 -41.76 70.15 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.94 -176.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -112.91 -25.44 9.01 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.816 0.341 . . . . 0.0 110.816 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.756 ' HB2' ' HB2' ' A' ' 29' ' ' ASP . 65.7 m-85 -84.05 105.11 14.66 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.213 0.53 . . . . 0.0 111.285 178.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.46 HG12 HG21 ' A' ' 27' ' ' ILE . 31.6 m -111.32 161.75 9.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.372 178.476 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.429 ' HB2' HD12 ' A' ' 28' ' ' ILE . 6.3 tt -98.05 116.79 30.99 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 177.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.405 ' HB ' ' HB3' ' A' ' 22' ' ' CYS . 35.4 m -118.17 160.75 17.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.255 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.6 t -145.23 148.43 33.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.983 0.42 . . . . 0.0 110.392 177.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -107.4 102.11 1.77 Allowed Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 109.925 -1.27 . . . . 0.0 109.925 171.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.629 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 56.8 Cg_exo -36.45 123.97 0.35 Allowed 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 124.455 3.437 . . . . 0.0 113.971 -171.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.3 tptt -54.22 -47.92 71.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.463 -0.789 . . . . 0.0 112.435 -173.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -86.93 -0.43 56.53 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -174.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.629 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 4.6 mp -122.08 -69.52 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.272 -175.189 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.8 m -84.53 -37.16 21.6 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.872 0.368 . . . . 0.0 110.56 -177.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.4 44.78 57.74 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.941 176.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.9 t -104.4 -95.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 O-C-N 122.701 -0.294 . . . . 0.0 110.261 178.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.437 ' HG3' ' H ' ' A' ' 46' ' ' ARG . 13.7 tptm 174.8 179.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 -178.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.437 ' H ' ' HG3' ' A' ' 45' ' ' LYS . 22.9 ptt180 -118.34 145.82 44.83 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 176.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -172.47 172.36 4.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 123.211 0.319 . . . . 0.0 110.326 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.0 mtm180 -94.17 142.9 26.88 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 172.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.1 p -150.56 145.92 16.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 120.956 0.408 . . . . 0.0 110.543 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -86.86 109.05 19.04 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.363 0.601 . . . . 0.0 110.029 175.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.5 pt -78.21 82.27 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.627 0.727 . . . . 0.0 110.696 -178.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 44.6 tp -106.85 -31.96 8.14 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.227 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 46.3 m-70 -122.14 21.95 10.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.992 0.425 . . . . 0.0 111.019 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.2 mp -117.45 135.27 54.02 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -117.13 121.08 32.89 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-O 120.967 0.413 . . . . 0.0 111.16 -176.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.632 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 17.5 Cg_exo -68.61 151.59 74.99 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 123.374 2.716 . . . . 0.0 112.988 176.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.53 ' O ' ' HD2' ' A' ' 8' ' ' ARG . 37.5 p -85.41 178.12 7.55 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.602 177.016 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -85.56 -17.76 35.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.797 0.332 . . . . 0.0 110.594 178.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -85.23 144.97 27.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.073 0.463 . . . . 0.0 110.467 175.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.98 157.48 44.51 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.999 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.44 HG13 HG12 ' A' ' 63' ' ' ILE . 26.2 pt -96.46 143.22 12.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 172.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -86.09 46.57 1.34 Allowed 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.132 0.492 . . . . 0.0 111.688 -168.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.447 HD11 ' HB3' ' A' ' 67' ' ' ALA . 48.0 pt -89.74 -172.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.372 177.029 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -122.37 178.25 5.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.798 0.333 . . . . 0.0 111.066 -179.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -69.6 108.81 4.0 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.416 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.34 44.71 3.42 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.142 -178.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.447 ' HB3' HD11 ' A' ' 63' ' ' ILE . . . -93.58 125.97 38.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.68 0.276 . . . . 0.0 110.363 177.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.9 p -67.41 166.8 13.83 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.722 -176.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.401 ' OD2' ' HA ' ' A' ' 38' ' ' PRO . 10.3 t70 -59.69 -30.66 68.93 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.3 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -58.24 -47.49 83.38 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.368 176.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -68.07 -42.71 80.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.473 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.8 t -61.64 -46.76 95.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.506 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -56.87 -49.09 76.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.848 177.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.92 -51.25 70.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.444 178.47 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.456 ' HD2' ' HA ' ' A' ' 75' ' ' LYS . 32.5 tptt -64.71 -36.76 85.31 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.307 -175.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.404 HD21 ' HA ' ' A' ' 76' ' ' LEU . 32.7 mt -60.57 -40.49 91.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.349 . . . . 0.0 110.762 177.071 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -72.61 -50.89 22.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.926 176.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -59.69 -50.36 74.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.336 -175.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.1 m -84.03 -5.77 59.29 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.979 -175.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 18.6 m120 65.41 48.53 2.06 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.043 0.449 . . . . 0.0 111.249 177.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -122.51 17.41 10.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.713 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.5 t -77.15 -39.21 49.99 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -172.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -55.84 -47.03 77.96 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.738 -176.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.43 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 65.8 t80 -61.53 -31.93 71.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.432 -176.283 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.449 ' HE3' HG21 ' A' ' 9' ' ' ILE . 1.8 mmt -77.71 -20.81 52.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.73 0.3 . . . . 0.0 111.595 -178.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -100.12 -33.91 10.27 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.139 -174.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -71.97 123.4 22.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.854 0.359 . . . . 0.0 111.356 -178.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.454 ' HZ1' ' HB2' ' A' ' 88' ' ' LYS . 0.7 OUTLIER 71.19 113.8 0.05 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.888 173.664 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 18.4 tt -139.61 164.48 23.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.483 -177.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.462 ' HG3' ' HD3' ' A' ' 16' ' ' ARG . 39.6 ttpt -66.97 121.67 16.05 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 -178.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.8 mp -59.18 121.71 7.48 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.751 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 43.0 ttt180 -146.35 100.3 3.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.324 -178.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 45.7 ttm -75.5 121.39 85.05 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 174.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -65.25 107.32 0.95 Allowed 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.378 2.052 . . . . 0.0 111.07 176.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.1 p -85.25 88.55 7.5 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.122 0.486 . . . . 0.0 110.785 -178.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 33.2 tp . . . . . 0 C--O 1.247 0.926 0 CA-C-O 118.282 -0.866 . . . . 0.0 109.671 -177.992 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.483 1.219 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -64.8 103.51 0.48 Allowed 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.195 1.93 . . . . 0.0 111.042 174.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -151.09 149.05 29.05 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.949 -177.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.421 HG22 HD12 ' A' ' 24' ' ' ILE . 47.0 mm 58.29 76.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.655 0.74 . . . . 0.0 109.024 -173.376 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -119.61 150.13 40.81 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.466 -172.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.402 HG12 ' HG2' ' A' ' 65' ' ' LYS . 16.4 m -69.49 115.98 9.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.523 0.678 . . . . 0.0 110.139 175.468 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.49 13.33 41.73 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.393 -0.908 . . . . 0.0 112.671 -178.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -105.88 120.03 40.7 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 174.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.4 mt -69.01 137.0 25.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.55 -174.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 23.3 m -134.16 124.72 26.53 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.382 0.61 . . . . 0.0 110.282 176.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.4 p -88.61 151.84 3.44 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.94 -175.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.593 ' N ' ' HE2' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -83.96 104.22 13.85 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.755 -179.405 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.3 p -66.79 -23.3 30.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.154 0.502 . . . . 0.0 110.394 178.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.668 ' HG2' ' HD2' ' A' ' 53' ' ' HIS . 0.6 OUTLIER -88.71 12.3 15.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.478 176.425 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -99.23 110.72 4.05 Favored Glycine 0 N--CA 1.445 -0.75 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 174.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.9 mtp-105 -63.6 -25.02 68.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.829 0.347 . . . . 0.0 111.564 -172.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -81.66 -19.92 40.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.497 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 57.57 26.39 12.74 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.502 -177.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -113.28 -11.88 12.84 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.465 -0.788 . . . . 0.0 111.427 178.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.449 ' HG ' ' HB2' ' A' ' 12' ' ' LYS . 1.3 p -71.39 100.23 2.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.339 0.59 . . . . 0.0 110.836 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -107.59 141.72 38.62 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.595 -177.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.474 ' SG ' ' HE3' ' A' ' 12' ' ' LYS . 73.4 m -148.95 156.74 42.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.021 178.158 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.4 p -119.69 143.5 31.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.333 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.421 HD12 HG22 ' A' ' 4' ' ' ILE . 65.3 mt -78.98 118.77 26.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 176.484 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.8 m -107.86 -28.64 2.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.914 -177.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -153.79 142.81 21.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.873 0.368 . . . . 0.0 110.736 -178.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.48 HG22 HG11 ' A' ' 33' ' ' VAL . 48.6 mt -102.5 109.13 25.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 178.115 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.547 HG13 ' HD3' ' A' ' 48' ' ' ARG . 40.6 mm -78.4 -64.29 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.105 0.479 . . . . 0.0 110.909 -176.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.433 ' CG ' ' H ' ' A' ' 30' ' ' ASP . 8.3 t70 -108.11 -159.41 0.69 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 -177.383 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.433 ' H ' ' CG ' ' A' ' 29' ' ' ASP . 25.8 t70 -80.75 -32.71 35.51 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.43 0.633 . . . . 0.0 109.354 176.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -114.86 -37.32 4.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.755 178.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.41 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 55.1 m-85 -72.24 104.59 3.73 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-O 121.097 0.475 . . . . 0.0 111.308 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.48 HG11 HG22 ' A' ' 27' ' ' ILE . 28.2 m -108.03 154.05 9.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.17 176.408 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.493 HD11 ' HD2' ' A' ' 46' ' ' ARG . 1.8 tm? -96.42 115.79 28.0 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 29.6 m -122.71 147.0 27.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.241 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.514 ' HB ' ' HB3' ' A' ' 46' ' ' ARG . 9.1 t -149.35 153.9 38.13 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.727 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.531 ' HA3' ' HB ' ' A' ' 44' ' ' VAL . . . -104.68 111.28 3.75 Favored Glycine 0 N--CA 1.441 -1.009 0 N-CA-C 110.441 -1.063 . . . . 0.0 110.441 172.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.888 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 74.7 Cg_exo -24.23 114.62 0.03 OUTLIER 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 125.263 3.976 . . . . 0.0 114.605 -173.694 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -48.14 -54.23 14.02 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 114.827 -1.079 . . . . 0.0 112.25 -173.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -102.38 28.35 6.01 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.508 0.67 . . . . 0.0 111.168 -175.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.888 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 69.1 mt -121.92 -53.9 3.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 172.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.67 HG23 ' H2 ' ' A' ' 43' ' ' GLY . 1.8 t -115.54 -67.89 0.96 Allowed 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 172.054 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.67 ' H2 ' HG23 ' A' ' 42' ' ' THR . . . 118.69 63.92 0.29 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.527 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.531 ' HB ' ' HA3' ' A' ' 37' ' ' GLY . 60.8 t -121.18 111.01 29.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 179.516 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -52.14 130.92 31.54 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.167 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.514 ' HB3' ' HB ' ' A' ' 36' ' ' THR . 27.3 ptt180 -71.84 134.11 45.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.186 -176.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 46.4 mtm180 -141.42 170.49 15.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.608 178.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.547 ' HD3' HG13 ' A' ' 28' ' ' ILE . 43.0 mtm180 -102.18 131.28 48.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.5 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 32' ' ' PHE . 7.1 p -129.65 142.03 44.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.975 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -88.45 31.0 0.84 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.637 -175.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 64.6 mt 59.1 91.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.547 0.689 . . . . 0.0 110.888 -175.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.1 tt -173.61 -42.11 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.279 -176.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.668 ' HD2' ' HG2' ' A' ' 14' ' ' LYS . 32.3 m170 -89.52 13.07 14.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.492 -177.32 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -153.63 154.01 33.38 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.703 0.287 . . . . 0.0 111.357 -176.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -127.94 141.51 41.42 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.086 173.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -59.76 129.06 29.08 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.57 2.18 . . . . 0.0 111.47 175.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.3 m -98.96 163.18 12.7 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 -174.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -56.45 -32.85 65.32 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.118 -0.946 . . . . 0.0 112.724 -176.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.5 ' HD2' ' N ' ' A' ' 59' ' ' LYS . 3.6 mptp? -93.28 135.84 34.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.301 0.572 . . . . 0.0 111.798 -172.229 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.764 ' HE2' ' HB2' ' A' ' 62' ' ' ASP . 81.9 tttt -139.61 125.55 19.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.874 178.341 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.431 HG22 HD21 ' A' ' 76' ' ' LEU . 12.7 pt -92.92 -31.05 4.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.767 0.318 . . . . 0.0 110.648 177.418 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.764 ' HB2' ' HE2' ' A' ' 60' ' ' LYS . 33.2 t70 64.52 112.98 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.854 -1.066 . . . . 0.0 111.592 178.276 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.787 HG22 ' HG2' ' A' ' 75' ' ' LYS . 22.5 pt -128.47 -179.32 2.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.985 -176.162 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -92.07 168.77 11.14 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.668 174.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' A' ' 66' ' ' GLY . 0.1 OUTLIER -85.62 132.44 34.17 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.477 ' N ' ' HD2' ' A' ' 65' ' ' LYS . . . 114.38 36.64 1.3 Allowed Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 -173.323 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.403 ' HB1' HD11 ' A' ' 63' ' ' ILE . . . -87.16 145.83 26.26 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.421 0.629 . . . . 0.0 112.181 -171.496 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.41 ' H ' ' HB3' ' A' ' 71' ' ' GLU . 57.8 p -126.81 -174.04 3.04 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.427 175.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -63.59 -25.44 68.23 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.315 0.578 . . . . 0.0 109.682 174.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -71.33 -52.9 16.23 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.404 176.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.478 ' CD ' ' HZ2' ' A' ' 75' ' ' LYS . 5.1 tp10 -58.94 -47.98 83.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.697 -177.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.44 HG13 ' HG3' ' A' ' 38' ' ' PRO . 64.5 t -60.49 -43.51 94.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.767 0.318 . . . . 0.0 110.553 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.635 ' HZ3' ' HB2' ' A' ' 73' ' ' LYS . 4.2 ttmp? -68.71 -37.77 79.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.108 0.48 . . . . 0.0 110.066 179.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -56.7 -53.8 53.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.754 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.787 ' HG2' HG22 ' A' ' 63' ' ' ILE . 14.1 mptt -65.83 -39.51 90.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.439 -179.17 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.431 HD21 HG22 ' A' ' 61' ' ' ILE . 69.4 mt -64.19 -42.74 96.52 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.63 0.253 . . . . 0.0 110.752 177.48 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -64.44 -47.28 79.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.62 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -57.93 -35.77 71.55 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.945 -179.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.5 t -94.1 -1.39 54.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.171 -179.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.5 t30 55.96 37.53 28.96 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.37 0.605 . . . . 0.0 110.128 -177.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.5 3.37 21.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.021 -176.067 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.5 m -59.14 -31.48 69.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.085 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.43 ' O ' ' HB2' ' A' ' 87' ' ' GLU . 32.2 tt0 -54.47 -51.02 66.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.366 -179.191 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -63.32 -32.45 73.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.593 -175.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 13.5 tpt -76.2 -26.72 56.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.132 0.492 . . . . 0.0 110.308 -178.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -98.6 -0.65 42.67 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.78 -178.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -87.96 162.34 16.92 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.728 -174.559 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt 64.74 -165.12 0.24 Allowed 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.801 0.84 . . . . 0.0 110.883 -176.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.419 HD13 ' H ' ' A' ' 89' ' ' ILE . 4.8 mp -67.45 127.18 28.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.091 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.89 142.54 38.55 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.904 -176.044 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.434 ' N ' HD12 ' A' ' 91' ' ' ILE . 4.3 mp -84.73 96.97 4.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.86 -176.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.464 ' HD2' ' O ' ' A' ' 42' ' ' THR . 21.9 tpt180 -98.7 58.92 1.22 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.538 0.685 . . . . 0.0 109.384 177.228 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 16.2 tpt -101.79 120.08 55.18 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.295 -176.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -68.25 92.0 0.39 Allowed 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.741 2.294 . . . . 0.0 111.572 177.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.0 t -154.82 154.45 32.76 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.135 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 C--O 1.252 1.213 0 CA-C-O 117.897 -1.049 . . . . 0.0 108.792 175.839 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.4 mtt . . . . . 0 N--CA 1.481 1.12 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -65.99 103.46 0.61 Allowed 'Trans proline' 0 N--CA 1.461 -0.382 0 C-N-CA 122.451 2.101 . . . . 0.0 112.124 -179.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.42 ' O ' ' HB ' ' A' ' 4' ' ' ILE . . . -124.43 100.75 6.82 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 176.42 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.42 ' HB ' ' O ' ' A' ' 3' ' ' ALA . 43.8 mm 70.05 96.93 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.106 -173.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -152.13 169.51 22.24 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 -178.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.542 HG21 ' HA ' ' A' ' 65' ' ' LYS . 34.3 m -54.77 145.59 4.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.475 0.655 . . . . 0.0 112.163 -176.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.429 ' HA2' HG12 ' A' ' 63' ' ' ILE . . . 99.63 -23.2 37.11 Favored Glycine 0 N--CA 1.443 -0.856 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.915 175.686 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -100.37 138.88 36.84 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 117.414 0.607 . . . . 0.0 110.091 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.451 HG13 HG23 ' A' ' 23' ' ' VAL . 4.1 mp -86.42 142.32 13.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.243 -177.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.5 p -126.61 144.88 50.76 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.99 0.424 . . . . 0.0 110.147 176.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -116.76 138.53 47.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.434 0.635 . . . . 0.0 110.775 -179.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.453 ' HB2' ' HB3' ' A' ' 18' ' ' ALA . 57.1 mtpt -72.26 138.53 47.52 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.452 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.8 m -106.34 30.4 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.847 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.693 ' HB3' ' HB2' ' A' ' 18' ' ' ALA . 13.4 tmtt? -55.4 99.77 0.03 OUTLIER 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.965 176.721 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.34 -97.6 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -172.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.0 ttp-105 -161.37 26.05 0.13 Allowed 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 172.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -117.06 5.33 12.79 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 114.872 -1.058 . . . . 0.0 111.204 -171.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.693 ' HB2' ' HB3' ' A' ' 14' ' ' LYS . . . -89.21 102.84 15.49 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.031 0.443 . . . . 0.0 111.148 -174.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.925 ' HA2' HD12 ' A' ' 89' ' ' ILE . . . -98.02 6.38 61.98 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.063 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.468 ' HB3' HG12 ' A' ' 44' ' ' VAL . 37.9 m -86.46 96.84 10.18 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.096 0.474 . . . . 0.0 110.834 -177.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm -81.54 128.76 34.25 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.186 176.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.428 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 18.2 m -116.72 148.24 41.27 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.811 0.339 . . . . 0.0 110.734 -175.096 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.451 HG23 HG13 ' A' ' 9' ' ' ILE . 47.7 t -106.19 130.0 58.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.168 177.48 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.453 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 46.2 mt -73.53 117.31 17.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 176.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.9 m -119.36 -22.01 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -175.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.525 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 27.0 t70 -155.41 139.08 16.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.821 0.343 . . . . 0.0 111.302 -176.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.3 mp -116.45 112.29 38.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.843 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.411 HD12 ' N ' ' A' ' 28' ' ' ILE . 4.0 mp -85.73 -57.63 4.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.715 -175.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.531 ' CG ' ' H ' ' A' ' 30' ' ' ASP . 11.7 t70 -128.97 -161.35 1.1 Allowed 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 -176.252 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.531 ' H ' ' CG ' ' A' ' 29' ' ' ASP . 38.5 t70 -83.28 -28.49 29.08 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.284 0.564 . . . . 0.0 110.009 -178.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.459 ' O ' ' HA ' ' A' ' 50' ' ' ASN . 14.5 m120 -108.51 -31.55 7.75 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.421 176.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -92.24 120.4 32.77 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.049 -172.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.24 164.56 34.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.019 -178.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.525 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . 62.0 tp -117.01 116.93 28.32 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.06 0.457 . . . . 0.0 110.286 178.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.428 ' HB ' ' HB3' ' A' ' 22' ' ' CYS . 22.7 m -121.1 146.41 26.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.681 176.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.1 t -138.64 143.93 39.46 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.133 0.492 . . . . 0.0 110.795 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.539 ' HA3' ' HB ' ' A' ' 44' ' ' VAL . . . -113.11 103.8 1.45 Allowed Glycine 0 N--CA 1.442 -0.951 0 N-CA-C 110.134 -1.186 . . . . 0.0 110.134 172.258 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -26.44 112.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 125.26 3.973 . . . . 0.0 114.256 -171.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.483 ' HA ' ' HA2' ' A' ' 43' ' ' GLY . 15.5 ptpt -66.28 -23.33 66.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.815 -177.107 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -77.3 -29.27 53.62 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.781 -179.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 59.9 mt -105.82 -74.79 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.395 -177.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.8 m -83.37 -46.15 12.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.522 -173.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.483 ' HA2' ' HA ' ' A' ' 39' ' ' LYS . . . 80.51 58.66 2.67 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.356 -0.926 . . . . 0.0 111.787 -177.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.539 ' HB ' ' HA3' ' A' ' 37' ' ' GLY . 90.6 t -91.53 138.19 20.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 179.554 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -62.61 97.59 0.1 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.407 HH12 ' HB2' ' A' ' 69' ' ' ASP . 10.0 ptm180 -84.1 144.55 28.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.489 -176.002 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 45.1 ttt-85 -172.54 151.33 2.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.46 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -72.04 116.75 12.82 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 171.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 31.5 m -128.47 -178.97 2.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 120.89 0.376 . . . . 0.0 111.173 -174.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.459 ' HA ' ' O ' ' A' ' 31' ' ' ASN . 21.4 p-10 -105.56 145.46 30.92 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.243 177.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.9 tt -76.99 87.29 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.968 0.89 . . . . 0.0 109.891 177.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.3 tp -118.78 -57.73 2.02 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.571 -178.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -124.29 62.93 1.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.306 0.574 . . . . 0.0 111.482 -174.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.1 pp -150.17 147.44 27.73 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.04 173.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -126.12 142.3 42.17 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-O 120.888 0.375 . . . . 0.0 110.007 176.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.58 145.81 29.94 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.739 2.293 . . . . 0.0 113.228 -175.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.3 m -86.81 160.08 18.89 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.557 177.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -62.12 -44.25 97.06 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -175.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.406 ' HD2' ' N ' ' A' ' 59' ' ' LYS . 2.6 mptp? -76.39 155.82 33.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.252 0.549 . . . . 0.0 111.632 -170.14 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.472 ' HE2' ' HA ' ' A' ' 62' ' ' ASP . 85.9 tttt -137.91 126.98 24.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.479 178.038 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.4 pt -79.34 -20.87 12.48 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.309 0 CA-C-O 121.342 0.592 . . . . 0.0 110.555 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.472 ' HA ' ' HE2' ' A' ' 60' ' ' LYS . 21.5 t70 66.36 97.79 0.05 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 113.995 -1.457 . . . . 0.0 112.223 175.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.66 HG23 ' HG3' ' A' ' 75' ' ' LYS . 37.0 pt -129.51 170.93 17.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 114.745 -1.116 . . . . 0.0 108.431 174.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -91.77 154.99 18.57 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.231 0.539 . . . . 0.0 110.57 179.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.542 ' HA ' HG21 ' A' ' 6' ' ' VAL . 20.7 ttpt -71.28 103.3 2.8 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.975 -172.331 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.38 48.02 0.62 Allowed Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.498 -176.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -95.4 -173.96 3.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.882 0.373 . . . . 0.0 111.161 -176.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.479 ' O ' HG22 ' A' ' 72' ' ' VAL . 6.7 m -115.65 153.98 30.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.227 -179.456 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.407 ' HB2' HH12 ' A' ' 46' ' ' ARG . 14.8 t70 -59.55 -43.17 93.63 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.302 0.572 . . . . 0.0 109.941 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -53.25 -51.16 63.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.793 174.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -63.52 -38.71 92.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.588 -1.187 . . . . 0.0 111.073 -176.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.479 HG22 ' O ' ' A' ' 68' ' ' SER . 87.3 t -62.02 -41.54 91.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.564 177.317 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt -64.43 -38.96 92.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.836 178.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.42 ' O ' ' HG3' ' A' ' 78' ' ' GLU . 93.4 mttt -67.08 -36.89 82.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.845 177.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.66 ' HG3' HG23 ' A' ' 63' ' ' ILE . 60.0 mmtt -64.15 -31.15 72.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.77 0.319 . . . . 0.0 111.102 174.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 92.9 mt -68.86 -38.78 79.96 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 173.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -64.86 -47.86 76.37 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.248 177.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 66.5 mt-10 -61.4 -34.5 75.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.392 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.0 t -88.76 -3.7 58.7 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.065 179.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 59.17 30.79 20.63 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.508 0.671 . . . . 0.0 110.55 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.4 tp -94.9 12.74 27.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.52 -174.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.9 m -55.77 -47.92 76.2 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.175 -176.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -62.55 -48.73 78.22 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 121.236 0.541 . . . . 0.0 111.025 -177.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -63.56 -22.83 67.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.205 -176.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.88 -24.93 35.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.742 0.306 . . . . 0.0 110.619 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -71.01 -35.85 72.21 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-O 121.047 0.451 . . . . 0.0 110.812 178.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -61.76 127.31 30.81 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.505 -0.77 . . . . 0.0 112.072 -174.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -109.8 167.86 9.84 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.216 -178.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.925 HD12 ' HA2' ' A' ' 19' ' ' GLY . 2.2 mp -75.08 136.67 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 171.214 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -107.56 107.84 18.86 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.392 -170.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.437 ' N ' HD12 ' A' ' 91' ' ' ILE . 4.3 mp -86.53 107.48 16.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.68 177.635 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -103.08 154.17 19.55 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.489 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.434 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 26.8 ptt? -110.65 143.33 27.98 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.126 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 93' ' ' MET . 17.7 Cg_exo -66.88 109.79 1.77 Allowed 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.506 2.138 . . . . 0.0 111.063 174.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.4 p -73.24 106.5 5.1 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.487 0.66 . . . . 0.0 111.52 -177.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 83.8 mt . . . . . 0 C--O 1.247 0.944 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.155 179.976 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 mpp? . . . . . 0 N--CA 1.482 1.136 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -70.98 113.84 3.7 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.799 2.332 . . . . 0.0 112.052 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.79 99.72 9.86 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.909 177.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.3 mp 68.53 111.29 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 121.646 0.736 . . . . 0.0 110.505 -177.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -144.1 170.41 16.0 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.833 -178.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.9 m -80.48 114.18 21.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.574 0.702 . . . . 0.0 110.003 175.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.19 7.96 32.0 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.28 -177.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -84.19 103.01 13.04 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 177.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.512 HG12 HG22 ' A' ' 23' ' ' VAL . 55.4 mt -71.27 117.82 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.287 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.434 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . 44.6 m -115.75 142.51 46.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.736 -176.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.7 p -90.41 149.35 4.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.411 -178.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 20' ' ' SER . 1.9 tppp? -84.97 54.46 3.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.57 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.616 HG12 ' HG2' ' A' ' 14' ' ' LYS . 7.2 p -56.53 -40.14 66.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.604 -0.726 . . . . 0.0 112.031 -172.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.616 ' HG2' HG12 ' A' ' 13' ' ' VAL . 73.7 mmtt -105.74 83.26 1.9 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.15 0.5 . . . . 0.0 110.307 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -160.44 -92.82 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.796 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.2 mtt180 -130.89 -84.09 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.734 0.302 . . . . 0.0 110.89 178.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -95.72 -10.69 28.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.986 -176.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.476 ' O ' ' HB ' ' A' ' 89' ' ' ILE . . . 62.25 23.85 14.15 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.536 0.684 . . . . 0.0 110.274 -172.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.458 ' CA ' ' HB2' ' A' ' 88' ' ' LYS . . . -89.44 -38.78 6.54 Favored Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.069 -0.969 . . . . 0.0 112.696 -177.121 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.478 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 3.4 p -76.66 90.4 3.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.429 0.633 . . . . 0.0 111.2 -179.107 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -80.08 149.09 30.77 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.123 179.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.429 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 57.9 m -133.06 147.32 52.19 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.0 0.429 . . . . 0.0 109.945 -179.49 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.512 HG22 HG12 ' A' ' 9' ' ' ILE . 46.7 t -110.01 129.5 64.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.639 -179.016 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.542 ' HA ' HG11 ' A' ' 35' ' ' VAL . 57.6 mt -68.46 103.44 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 174.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 23' ' ' VAL . 92.4 t -104.16 -34.8 3.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.346 -173.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.492 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 3.7 t70 -142.79 165.3 27.77 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.886 0.374 . . . . 0.0 110.257 -178.391 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.2 mm -124.36 110.86 26.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.109 -174.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.444 HG21 ' NH2' ' A' ' 48' ' ' ARG . 43.7 mm -80.72 -59.03 3.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 177.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.515 ' OD2' ' HB2' ' A' ' 32' ' ' PHE . 3.7 p30 -137.99 -167.24 2.11 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 170.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -82.32 -11.57 58.52 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.786 0.327 . . . . 0.0 111.775 -171.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -115.76 -49.06 2.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.934 0.397 . . . . 0.0 110.399 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.515 ' HB2' ' OD2' ' A' ' 29' ' ' ASP . 36.2 m-85 -88.3 113.06 23.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.947 176.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.0 m -108.94 164.23 5.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 -178.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.492 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . 52.5 tp -103.17 114.5 28.84 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.542 HG11 ' HA ' ' A' ' 24' ' ' ILE . 27.0 m -120.0 147.73 23.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.334 178.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.415 HG23 HG22 ' A' ' 25' ' ' VAL . 9.0 t -140.95 140.3 34.4 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.147 0.499 . . . . 0.0 110.821 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.557 ' HA3' ' HB ' ' A' ' 44' ' ' VAL . . . -101.56 110.75 3.92 Favored Glycine 0 N--CA 1.439 -1.106 0 N-CA-C 110.071 -1.212 . . . . 0.0 110.071 171.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.627 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 61.3 Cg_exo -37.29 123.08 0.44 Allowed 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 123.956 3.104 . . . . 0.0 113.042 -175.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.617 ' HA ' ' HA2' ' A' ' 43' ' ' GLY . 21.8 ptmt -58.44 -26.67 63.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.438 -171.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -89.99 -44.46 9.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.213 0.53 . . . . 0.0 110.598 178.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.627 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 72.2 mt -70.87 -53.38 22.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.721 -173.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.0 p -124.19 -38.06 2.49 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.894 0.378 . . . . 0.0 111.644 -177.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.617 ' HA2' ' HA ' ' A' ' 39' ' ' LYS . . . 77.36 40.84 22.58 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.897 177.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.557 ' HB ' ' HA3' ' A' ' 37' ' ' GLY . 23.3 t -90.34 -23.12 6.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.004 0.431 . . . . 0.0 110.345 179.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 36' ' ' THR . 56.5 mttp 69.35 -178.66 0.22 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.982 -179.45 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.419 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 8.6 ptp85 -98.17 144.68 27.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.906 -177.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -173.5 166.09 4.65 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.034 176.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.444 ' NH2' HG21 ' A' ' 28' ' ' ILE . 60.6 mtt180 -82.23 118.96 23.5 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 176.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 45.2 t -123.44 -5.58 7.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.635 0.731 . . . . 0.0 110.044 -178.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 59.32 178.09 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.629 -1.169 . . . . 0.0 111.306 -176.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.1 pt -96.6 15.48 2.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.322 0.582 . . . . 0.0 110.423 175.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.8 mp -95.31 -9.09 34.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.325 -176.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -122.2 5.97 9.72 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.683 178.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.434 ' HB3' ' CB ' ' A' ' 10' ' ' CYS . 92.8 mt -120.24 132.85 55.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.192 0.52 . . . . 0.0 111.061 -175.023 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -122.7 118.76 28.36 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 175.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -66.03 134.16 35.96 Favored 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.588 2.192 . . . . 0.0 112.512 -178.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 81.6 p -88.24 -171.03 3.2 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.892 0.377 . . . . 0.0 110.492 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -88.19 -3.86 58.81 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.487 177.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.554 ' HB3' HD22 ' A' ' 81' ' ' LEU . 14.0 mptt -103.01 140.15 37.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.648 174.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.407 ' HE2' ' HB2' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -147.86 156.94 43.25 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.112 179.712 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.632 HG23 HD12 ' A' ' 76' ' ' LEU . 32.4 pt -116.68 172.15 4.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.691 0.282 . . . . 0.0 110.734 177.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -117.5 95.15 4.82 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.545 -176.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.6 pt -132.4 170.73 19.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.781 0.324 . . . . 0.0 110.989 -179.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -97.41 160.13 14.51 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.138 178.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -65.94 105.1 1.24 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.058 176.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 107.25 61.91 0.57 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.154 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -114.5 154.87 27.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.72 0.295 . . . . 0.0 110.827 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 32.4 m -105.15 -178.43 3.65 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.412 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -52.18 -51.99 54.74 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.865 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -60.91 -37.58 82.76 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -178.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -69.02 -47.64 64.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.907 0.384 . . . . 0.0 110.048 -178.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 94.8 t -61.86 -45.63 98.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.052 176.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.435 ' HB2' ' HE3' ' A' ' 73' ' ' LYS . 34.7 ttmt -55.83 -45.4 78.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.999 178.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.445 ' O ' ' HG2' ' A' ' 78' ' ' GLU . 13.4 mptt -63.28 -47.34 82.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.409 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.457 ' HD3' ' HA ' ' A' ' 75' ' ' LYS . 28.1 mmtp -68.68 -29.87 68.42 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.809 0.299 . . . . 0.0 111.809 -179.001 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.632 HD12 HG23 ' A' ' 61' ' ' ILE . 5.1 mp -64.82 -43.67 92.37 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 171.269 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -64.03 -44.94 91.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.456 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 16.3 mm-40 -52.99 -41.88 65.02 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.507 177.177 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.3 m -90.39 -5.57 55.99 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.401 -176.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 14.8 m120 60.13 33.08 21.15 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.349 0.595 . . . . 0.0 110.279 -175.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.554 HD22 ' HB3' ' A' ' 59' ' ' LYS . 30.6 tp -103.73 1.6 31.98 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.867 -174.236 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.6 ' HA ' HD23 ' A' ' 76' ' ' LEU . 10.7 m -54.03 -42.16 68.85 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.701 -178.54 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -58.1 -51.8 68.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.455 -177.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -64.77 -23.26 67.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.223 -176.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -88.9 -41.59 12.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.368 -179.228 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 54.9 tttp -68.68 -46.97 67.68 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 123.291 0.369 . . . . 0.0 111.83 -175.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -74.59 123.78 25.46 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.458 ' HB2' ' CA ' ' A' ' 19' ' ' GLY . 65.7 pttt -71.35 150.93 44.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.106 0.479 . . . . 0.0 111.461 -174.318 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.476 ' HB ' ' O ' ' A' ' 18' ' ' ALA . 48.9 mm -75.43 148.03 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.154 -178.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -102.98 112.9 25.95 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -175.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 15.5 tt -76.43 146.92 8.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 175.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 50.2 mtp180 -82.14 89.86 6.52 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.867 0.365 . . . . 0.0 110.235 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.571 ' HE3' ' HB ' ' A' ' 95' ' ' THR . 28.1 ttt -88.0 119.31 70.4 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.491 -179.269 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.37 -24.97 36.44 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.885 2.39 . . . . 0.0 112.486 -178.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.571 ' HB ' ' HE3' ' A' ' 93' ' ' MET . 25.9 m -91.54 116.45 28.88 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.633 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.3 pt? . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.837 -0.602 . . . . 0.0 110.216 178.199 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.432 HG22 ' O ' ' A' ' 4' ' ' ILE . 38.9 mm . . . . . 0 CA--C 1.532 0.26 0 CA-C-O 122.642 1.211 . . . . 0.0 108.423 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -161.74 173.45 14.62 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.0 -1.455 . . . . 0.0 108.217 -176.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.572 HG11 ' HA ' ' A' ' 65' ' ' LYS . 34.7 m -55.43 148.03 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.18 0.514 . . . . 0.0 111.86 -178.542 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.26 -35.13 4.32 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.967 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.42 ' HD2' ' HA ' ' A' ' 8' ' ' ARG . 6.7 tpt180 -83.05 124.8 30.78 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.794 0.331 . . . . 0.0 110.743 -177.282 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.504 HD11 HG23 ' A' ' 61' ' ' ILE . 56.7 mt -86.06 142.97 12.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.665 -178.384 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.54 ' HA ' ' HA ' ' A' ' 56' ' ' PRO . 8.7 p -128.41 163.15 25.5 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.082 178.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.8 p -145.98 151.49 14.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.61 -176.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.488 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 91.0 mttt -66.02 100.48 0.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 174.104 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--N 1.323 -0.547 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.212 -178.888 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.433 0 N-CA-C 114.008 0.363 . . . . 0.0 114.008 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.488 ' HB2' ' HD2' ' A' ' 12' ' ' LYS . 32.2 m -156.73 124.01 5.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 117.424 0.612 . . . . 0.0 110.909 177.412 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -122.14 137.3 54.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.767 177.2 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 57.3 m -144.15 160.67 40.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.938 0.399 . . . . 0.0 111.339 -174.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.404 HG21 HD11 ' A' ' 61' ' ' ILE . 12.0 p -129.29 147.54 33.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.117 175.568 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.54 HG12 HG12 ' A' ' 35' ' ' VAL . 62.9 mt -83.72 129.92 36.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.2 p -113.6 -35.43 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.699 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -132.59 131.44 41.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.146 0.498 . . . . 0.0 110.836 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.41 ' N ' HD12 ' A' ' 27' ' ' ILE . 4.1 mp -106.54 123.08 61.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.293 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.416 ' N ' HD12 ' A' ' 28' ' ' ILE . 3.8 mp -92.38 -43.5 13.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 177.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -160.5 -163.62 1.11 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.435 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.07 -32.28 72.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.784 0.326 . . . . 0.0 111.435 -179.274 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -101.85 -45.98 5.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.974 178.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -77.82 107.86 10.64 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.122 -174.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.7 m -132.3 150.81 33.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.996 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 tp -105.57 116.5 32.04 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.204 177.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.54 HG12 HG12 ' A' ' 24' ' ' ILE . 27.0 m -106.81 144.18 16.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.173 178.726 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.6 t -151.37 176.44 11.26 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.321 -177.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.483 ' HA3' ' HB ' ' A' ' 44' ' ' VAL . . . -146.51 179.02 23.8 Favored Glycine 0 N--CA 1.443 -0.834 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 176.259 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.81 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 23.4 Cg_exo -63.65 114.28 2.49 Favored 'Trans proline' 0 C--O 1.238 0.5 0 C-N-CA 122.576 2.184 . . . . 0.0 111.641 179.322 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -59.34 -59.57 5.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.01 -175.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -81.0 -15.32 56.54 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.884 -173.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.81 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 67.6 mt -88.58 -60.45 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.327 -176.37 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.559 ' HB ' HG23 ' A' ' 44' ' ' VAL . 4.8 m -106.65 -30.62 8.88 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.984 0.421 . . . . 0.0 111.466 -175.457 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.23 51.41 5.0 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.385 -175.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.559 HG23 ' HB ' ' A' ' 42' ' ' THR . 57.8 t -93.47 115.34 32.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.97 0.414 . . . . 0.0 110.454 -179.103 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -68.88 127.74 34.2 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.427 178.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -78.75 142.89 36.66 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.1 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -148.31 144.67 27.74 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.171 0.51 . . . . 0.0 110.882 178.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -102.02 115.47 30.61 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.773 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.4 m -125.61 169.34 17.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.445 -176.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -103.01 28.79 5.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.954 176.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 61.3 mt 56.16 82.03 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.592 -173.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 60.0 tp -83.97 -55.12 4.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.98 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 -158.31 74.51 0.7 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 177.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 54.0 tp -136.7 126.75 26.06 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.305 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.459 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 34.8 mt-10 -124.88 130.47 24.22 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-O 120.626 0.25 . . . . 0.0 110.513 -176.378 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.54 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 12.4 Cg_exo -70.53 152.72 65.53 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.842 2.361 . . . . 0.0 112.643 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 59' ' ' LYS . 11.3 t -99.48 -167.56 1.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.907 179.046 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -84.66 -26.03 28.07 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.808 -175.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.412 ' H ' HG23 ' A' ' 57' ' ' THR . 67.9 mttm -77.15 149.26 35.63 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.467 0.651 . . . . 0.0 112.096 -172.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.463 ' HE2' ' HB3' ' A' ' 60' ' ' LYS . 15.8 ttpt -141.15 140.16 34.03 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.046 -177.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.504 HG23 HD11 ' A' ' 9' ' ' ILE . 27.1 pt -100.52 160.53 3.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 175.295 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -97.71 89.96 4.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.8 0.333 . . . . 0.0 110.639 -175.363 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 45.7 pt -141.57 173.09 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.172 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -108.51 175.35 5.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.262 177.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.572 ' HA ' HG11 ' A' ' 6' ' ' VAL . 29.7 ttpt -83.52 115.36 22.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.12 0.486 . . . . 0.0 110.677 -178.146 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 108.98 52.76 0.64 Allowed Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -176.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -104.66 178.96 4.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.243 0.544 . . . . 0.0 111.309 -175.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.536 ' H ' ' HB3' ' A' ' 71' ' ' GLU . 78.0 p -129.8 174.38 9.78 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.804 178.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -59.79 -39.23 84.23 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.953 173.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -58.34 -52.46 65.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.52 176.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.536 ' HB3' ' H ' ' A' ' 68' ' ' SER . 36.9 tp10 -54.99 -55.1 34.65 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.735 -1.12 . . . . 0.0 111.191 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 98.4 t -59.86 -43.4 91.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.012 -177.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -60.94 -44.64 96.96 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -178.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -70.19 -44.63 68.32 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.362 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 75' ' ' LYS . 30.0 mmtp -70.17 -31.61 69.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.877 0.37 . . . . 0.0 111.195 -178.093 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 29.7 tp -70.58 -40.59 73.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.74 175.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -58.19 -50.96 71.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.448 178.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -58.28 -40.77 82.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.403 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.3 m -77.94 -2.9 39.17 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.646 -177.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 66.1 t30 63.9 18.85 11.44 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.53 0.681 . . . . 0.0 111.342 176.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 28.2 tp -96.57 5.89 49.85 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.324 0.583 . . . . 0.0 110.226 -176.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.4 t -62.2 -43.27 99.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.773 -177.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -65.04 -40.93 95.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.723 -176.13 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -63.04 -36.81 84.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.779 177.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 10.2 tpt -78.33 -26.1 46.71 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.112 0.482 . . . . 0.0 110.274 -178.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 44.0 tttp -79.16 -25.71 42.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.592 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -48.34 120.6 3.73 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.416 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.0 pttp . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.787 -177.227 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.538 HG23 HD13 ' A' ' 24' ' ' ILE . 47.2 mm . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.876 0.37 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.562 ' OE1' ' HB2' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -140.43 175.2 9.8 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.08 177.356 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 42.9 t -69.93 127.95 32.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.361 -174.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.87 6.67 63.38 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.571 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.653 ' HB3' HD12 ' A' ' 24' ' ' ILE . 3.4 tpt180 -76.55 133.21 39.77 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.886 0.374 . . . . 0.0 110.722 -179.45 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.429 HG12 ' HA ' ' A' ' 60' ' ' LYS . 50.4 mm -83.98 114.14 24.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 173.436 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.9 p -116.27 140.49 49.26 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.379 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.8 p -99.6 146.98 7.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.345 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.498 ' HE3' ' HB2' ' A' ' 20' ' ' SER . 9.5 ptpt -76.99 85.74 3.51 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.082 176.456 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.9 t . . . . . 0 C--N 1.325 -0.485 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 178.525 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.453 ' O ' ' HG3' ' A' ' 88' ' ' LYS . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 113.541 0.176 . . . . 0.0 113.541 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.498 ' HB2' ' HE3' ' A' ' 12' ' ' LYS . 14.6 m -154.3 152.7 30.58 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 122.345 -0.503 . . . . 0.0 110.552 178.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.2 mptt -119.09 146.44 45.09 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 173.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.406 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 51.8 m -122.79 146.31 47.64 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.925 0.393 . . . . 0.0 110.254 178.119 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.2 t -108.29 125.78 65.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.122 -179.056 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.653 HD12 ' HB3' ' A' ' 8' ' ' ARG . 47.3 mt -78.51 96.71 2.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.745 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.7 m -98.05 -25.5 4.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -173.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.538 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 25.3 t70 -142.39 134.63 27.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.996 0.426 . . . . 0.0 111.093 -177.077 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.435 ' H ' ' HD2' ' A' ' 65' ' ' LYS . 35.0 mm -100.24 113.35 35.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.492 177.099 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 62.9 mt -90.02 -53.86 8.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.091 0.472 . . . . 0.0 110.483 -177.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.479 ' CG ' ' H ' ' A' ' 30' ' ' ASP . 14.4 t70 -133.33 -151.2 0.44 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.479 ' H ' ' CG ' ' A' ' 29' ' ' ASP . 37.2 t70 -74.51 -53.53 9.29 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.751 0.31 . . . . 0.0 111.011 -177.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -107.38 -27.75 10.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.805 175.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.473 ' HB2' ' HB3' ' A' ' 29' ' ' ASP . 67.6 m-85 -70.76 105.07 3.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.527 178.431 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.2 m -122.35 162.69 21.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.847 0.356 . . . . 0.0 110.441 178.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.538 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . 6.4 tt -103.95 116.63 32.6 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 177.358 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.406 ' HB ' ' HB3' ' A' ' 22' ' ' CYS . 30.2 m -113.65 151.15 15.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.524 -178.612 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.453 ' HB ' ' HB3' ' A' ' 46' ' ' ARG . 15.3 t -161.95 170.77 18.78 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.798 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -125.49 159.43 20.01 Favored Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 173.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.464 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 51.8 Cg_exo -53.16 122.07 10.52 Favored 'Trans proline' 0 C--O 1.237 0.442 0 C-N-CA 122.469 2.113 . . . . 0.0 111.434 178.787 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -65.66 -29.27 69.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.977 0.418 . . . . 0.0 110.879 -174.125 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.87 ' HB3' ' HE2' ' A' ' 73' ' ' LYS . 39.0 t70 -93.61 5.68 50.79 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.013 -175.571 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.623 HG13 ' HD3' ' A' ' 73' ' ' LYS . 65.1 mt -129.17 -79.39 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.036 0.446 . . . . 0.0 111.182 178.318 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.92 -40.08 61.06 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.468 -172.707 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.97 36.41 28.29 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.469 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.3 t -95.35 120.49 44.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 178.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.9 pttt -67.8 141.98 56.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.168 0.509 . . . . 0.0 111.45 -178.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.453 ' HB3' ' HB ' ' A' ' 36' ' ' THR . 10.6 ptm180 -82.36 131.01 35.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.269 -177.364 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -159.37 169.95 22.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.235 177.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -90.42 133.16 35.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.039 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.46 HG12 ' H ' ' A' ' 51' ' ' ILE . 41.9 t -136.77 147.4 27.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 178.801 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -98.14 24.88 6.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.705 0.288 . . . . 0.0 111.453 -177.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.513 ' HA ' HD23 ' A' ' 54' ' ' LEU . 17.3 mm 60.49 27.23 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 CA-C-O 121.791 0.805 . . . . 0.0 110.515 -179.491 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.5 tp -42.58 -46.15 4.82 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 114.698 -1.137 . . . . 0.0 112.702 -178.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.69 44.68 1.1 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.232 0.539 . . . . 0.0 110.465 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.513 HD23 ' HA ' ' A' ' 51' ' ' ILE . 3.4 mm? -109.72 159.26 17.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.715 179.002 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -151.91 130.69 6.41 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-O 120.532 0.206 . . . . 0.0 110.607 178.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -67.08 123.29 10.75 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.789 2.326 . . . . 0.0 111.73 176.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.1 p -134.63 143.94 47.58 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.713 -176.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 t70 63.45 -158.14 0.32 Allowed 'General case' 0 C--O 1.236 0.393 0 O-C-N 124.013 0.82 . . . . 0.0 110.799 172.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -78.41 147.97 33.83 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.067 0.46 . . . . 0.0 110.961 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.537 ' HE3' ' OE1' ' A' ' 5' ' ' GLU . 0.0 OUTLIER -118.05 157.39 26.91 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.09 -179.414 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 22.3 pt -86.97 124.11 40.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.144 0.497 . . . . 0.0 110.397 178.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -84.13 90.52 7.5 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.035 0.445 . . . . 0.0 110.376 -176.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 36.1 pt -127.14 173.9 11.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.829 -177.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -99.26 154.04 18.48 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.628 177.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.435 ' HD2' ' H ' ' A' ' 27' ' ' ILE . 39.0 ttpt -69.38 115.56 8.79 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 119.92 34.01 1.02 Allowed Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.528 -0.629 . . . . 0.0 111.528 -176.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.95 149.68 25.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.73 0.3 . . . . 0.0 110.609 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.405 ' O ' HG23 ' A' ' 72' ' ' VAL . 21.4 m -95.62 158.84 15.27 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.714 -178.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -58.44 -39.53 80.11 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.128 0.489 . . . . 0.0 110.872 -179.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -63.34 -51.72 64.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.93 175.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 62.2 tt0 -56.1 -46.78 78.96 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.876 -1.057 . . . . 0.0 111.573 -177.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 68' ' ' SER . 94.7 t -59.8 -48.04 89.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.646 0.26 . . . . 0.0 111.025 179.305 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.87 ' HE2' ' HB3' ' A' ' 40' ' ' ASP . 9.2 mtmp? -70.25 -27.0 64.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.839 0.352 . . . . 0.0 111.085 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -63.64 -42.15 98.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.514 0.673 . . . . 0.0 109.301 174.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.827 ' HE2' ' HA ' ' A' ' 75' ' ' LYS . 9.9 mmpt? -67.14 -41.14 86.62 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.433 176.068 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.3 mt -64.63 -27.51 68.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.415 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.78 -50.87 31.19 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 177.335 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -62.3 -36.09 81.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.328 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 47.1 t -83.81 -16.64 43.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.242 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 65.5 t30 65.4 13.55 8.89 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.48 0.657 . . . . 0.0 110.774 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.4 tp -86.46 3.4 44.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.941 -174.072 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.6 t -57.99 -40.99 82.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.838 -178.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -64.23 -41.55 96.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.543 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -62.47 -42.74 99.69 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.008 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -43.66 76.7 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -178.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -56.18 -41.4 75.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.288 -178.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -48.65 126.93 12.69 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 123.751 0.657 . . . . 0.0 111.97 -173.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.459 ' HE3' ' HB2' ' A' ' 88' ' ' LYS . 23.1 ttmt . . . . . 0 C--N 1.321 -0.665 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.97 -175.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.742 HG13 HD13 ' A' ' 51' ' ' ILE . 48.6 mm . . . . . 0 C--O 1.234 0.245 0 CA-C-O 121.693 0.759 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.543 ' HB2' ' HB2' ' A' ' 8' ' ' ARG . 11.5 mp0 -98.64 139.0 35.01 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.139 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.7 m -64.37 120.51 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.13 0.49 . . . . 0.0 110.065 174.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.81 -10.13 62.26 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.061 -176.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.543 ' HB2' ' HB2' ' A' ' 5' ' ' GLU . 59.2 ttt180 -81.85 132.4 35.27 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.32 -0.518 . . . . 0.0 109.745 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.9 mm -85.61 129.79 37.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.896 -171.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.5 p -125.81 141.47 51.98 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.353 0.597 . . . . 0.0 111.412 -178.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.1 p -107.54 152.76 9.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.462 -0.79 . . . . 0.0 108.97 177.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.0 134.72 38.69 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.879 0.371 . . . . 0.0 110.409 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--N 1.321 -0.67 0 CA-C-O 122.842 1.306 . . . . 0.0 109.124 -179.896 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.298 0 N-CA-C 112.694 -0.163 . . . . 0.0 112.694 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.5 m -96.82 164.49 12.54 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 178.29 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -110.4 149.75 29.8 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.6 p -143.88 155.75 44.21 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.795 0.331 . . . . 0.0 110.602 177.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.3 t -111.49 133.18 57.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.415 -177.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.534 HG13 HG12 ' A' ' 35' ' ' VAL . 4.3 mp -78.37 112.27 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 174.284 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.0 p -99.28 -28.3 3.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -173.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -147.56 144.46 28.5 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.791 -177.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.0 mm -102.73 87.65 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.36 -178.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 54.7 mt -71.36 -46.84 62.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.376 0.608 . . . . 0.0 109.638 177.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.512 ' HB3' ' HB2' ' A' ' 32' ' ' PHE . 18.2 t70 -138.26 170.69 15.58 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.314 -0.857 . . . . 0.0 108.833 177.547 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -81.62 -18.83 43.34 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 120.85 0.357 . . . . 0.0 111.149 -174.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -124.74 -10.33 7.28 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.283 0.563 . . . . 0.0 110.191 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.512 ' HB2' ' HB3' ' A' ' 29' ' ' ASP . 91.2 m-85 -121.69 101.55 7.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.601 174.582 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.0 m -111.54 169.11 4.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.755 0.312 . . . . 0.0 111.347 -175.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -103.85 116.3 32.04 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 178.279 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.534 HG12 HG13 ' A' ' 24' ' ' ILE . 30.0 m -111.32 143.69 20.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.139 0.495 . . . . 0.0 110.487 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.2 t -136.97 156.28 48.65 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.773 177.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.5 176.1 18.01 Favored Glycine 0 N--CA 1.439 -1.1 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 177.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.552 ' HB2' ' H ' ' A' ' 42' ' ' THR . 38.0 Cg_exo -60.87 108.37 0.54 Allowed 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.391 2.061 . . . . 0.0 111.437 177.393 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -66.04 -43.93 86.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.498 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -79.96 -44.26 20.6 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.076 -178.389 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.447 ' HB ' ' CB ' ' A' ' 38' ' ' PRO . 68.3 mt -76.78 -60.88 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.101 -0.5 . . . . 0.0 112.036 -172.736 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.552 ' H ' ' HB2' ' A' ' 38' ' ' PRO . 9.9 m -91.94 -38.74 12.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.96 0.409 . . . . 0.0 111.431 -175.724 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.83 39.36 5.54 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.708 -176.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.503 HG23 ' HB ' ' A' ' 42' ' ' THR . 53.8 t -87.72 131.2 36.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 0.0 110.639 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -96.21 118.32 32.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.69 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.443 ' O ' ' HD2' ' A' ' 46' ' ' ARG . 4.2 ppt_? -70.66 140.39 51.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.371 0.605 . . . . 0.0 112.108 -173.436 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -159.99 158.39 30.51 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -82.25 133.9 35.27 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.9 m -126.05 167.46 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.133 0.492 . . . . 0.0 111.796 -173.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -107.64 132.37 53.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.417 177.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.742 HD13 HG13 ' A' ' 4' ' ' ILE . 39.7 mt -76.06 83.83 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.403 0.62 . . . . 0.0 110.366 -178.168 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.9 tt -119.62 -65.32 1.17 Allowed 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.268 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -109.83 49.83 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.269 0.557 . . . . 0.0 111.165 -178.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 51' ' ' ILE . 8.1 mp -109.9 130.62 55.5 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.789 177.107 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.428 ' OE2' ' HD2' ' A' ' 56' ' ' PRO . 0.5 OUTLIER -119.45 119.36 31.69 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -179.629 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.428 ' HD2' ' OE2' ' A' ' 55' ' ' GLU . 38.4 Cg_exo -62.12 133.2 42.71 Favored 'Trans proline' 0 N--CA 1.464 -0.208 0 C-N-CA 122.675 2.25 . . . . 0.0 111.693 176.541 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 73.2 p -87.7 -171.44 3.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -178.211 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -80.39 -26.55 38.48 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.956 0.408 . . . . 0.0 111.084 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -93.97 158.82 15.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.522 0.677 . . . . 0.0 112.034 -175.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -161.47 124.16 3.08 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.783 -1.098 . . . . 0.0 109.261 178.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 30.5 pt -93.63 139.15 18.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.978 0.418 . . . . 0.0 109.894 178.223 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -90.13 99.54 12.53 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.173 0.511 . . . . 0.0 110.648 -178.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 39.7 pt -126.63 -174.47 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.737 -178.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -104.69 165.31 11.15 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.278 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -78.2 62.63 2.95 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.528 0.68 . . . . 0.0 110.156 178.407 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.02 47.87 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.29 -178.13 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.436 ' HB1' ' HB3' ' A' ' 71' ' ' GLU . . . -120.32 120.33 35.72 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 120.726 0.298 . . . . 0.0 110.25 -178.666 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.0 m -91.68 -172.9 3.36 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.004 -176.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -53.56 -24.76 14.53 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.799 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.06 -51.76 35.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.591 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.436 ' HB3' ' HB1' ' A' ' 67' ' ' ALA . 46.2 tp10 -72.49 -36.59 68.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.873 -179.248 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 95.3 t -59.45 -37.84 71.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.005 0.431 . . . . 0.0 110.109 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.566 ' HZ2' ' HB2' ' A' ' 73' ' ' LYS . 4.4 ttmp? -64.8 -39.52 93.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.479 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -58.72 -52.07 67.27 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.15 0.5 . . . . 0.0 110.06 176.223 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.703 ' HA ' ' HE2' ' A' ' 75' ' ' LYS . 10.4 mmpt? -59.51 -44.45 93.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.979 -178.216 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.526 HD21 ' HG3' ' A' ' 85' ' ' MET . 5.5 mp -59.7 -39.21 83.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.232 178.404 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -65.06 -49.45 70.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.579 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -56.49 -44.68 80.92 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.407 178.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.3 m -85.01 -7.97 58.92 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.977 -176.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 66.7 t30 58.51 37.24 25.56 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.737 0.779 . . . . 0.0 109.513 -176.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.512 ' HG ' ' HB3' ' A' ' 84' ' ' TYR . 15.1 tp -106.23 22.37 15.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.598 -171.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.5 m -59.48 -50.88 72.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.966 -176.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -59.85 -35.9 75.73 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.145 0.497 . . . . 0.0 110.865 -176.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.512 ' HB3' ' HG ' ' A' ' 81' ' ' LEU . 82.5 t80 -52.78 -39.95 62.75 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.921 -177.165 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.526 ' HG3' HD21 ' A' ' 76' ' ' LEU . 24.2 mmt -83.14 -26.59 30.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.81 0.338 . . . . 0.0 111.877 -176.48 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -92.3 -11.06 36.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.321 0.581 . . . . 0.0 110.206 -177.273 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -70.79 129.23 38.56 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.181 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 65.3 pttt . . . . . 0 C--N 1.318 -0.786 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 170.254 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.3 mm . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 121.374 0.606 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -115.27 131.19 57.01 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.064 177.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.9 m -57.57 119.11 2.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.341 0.591 . . . . 0.0 110.109 175.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.66 -16.91 10.33 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.013 -177.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.529 ' HA ' ' NE ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -90.37 103.82 16.46 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 121.127 0.489 . . . . 0.0 109.958 177.078 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.601 HG13 HG22 ' A' ' 23' ' ' VAL . 4.3 mp -68.86 118.55 13.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 173.118 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.588 ' SG ' HD23 ' A' ' 54' ' ' LEU . 3.6 p -102.22 152.09 21.45 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 120.992 0.425 . . . . 0.0 110.866 -176.211 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.6 p -124.2 143.48 37.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.51 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -83.7 81.39 8.77 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.289 179.186 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.8 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 115.47 -0.786 . . . . 0.0 112.52 -172.895 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.687 0 N-CA-C 113.562 0.185 . . . . 0.0 113.562 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 p -162.8 136.03 5.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.185 0.517 . . . . 0.0 111.89 176.301 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.33 153.85 37.2 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.114 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.552 ' HB2' ' HB ' ' A' ' 35' ' ' VAL . 7.8 p -148.34 155.3 41.11 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.128 0.489 . . . . 0.0 111.674 -177.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.601 HG22 HG13 ' A' ' 9' ' ' ILE . 22.5 t -112.37 131.01 65.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.033 177.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 60.4 mt -77.84 116.65 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 177.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.2 m -107.23 -31.2 2.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -144.39 147.12 33.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.831 0.348 . . . . 0.0 110.66 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.435 HG23 HG12 ' A' ' 33' ' ' VAL . 62.4 mt -116.3 114.63 46.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.507 -177.154 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.407 HD12 ' N ' ' A' ' 28' ' ' ILE . 3.7 mp -84.22 -56.25 5.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.035 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -137.62 -165.06 1.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.989 176.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -84.15 -8.48 59.07 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -171.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -121.6 -42.91 2.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.069 -0.394 . . . . 0.0 111.136 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -101.35 120.24 39.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.363 0.601 . . . . 0.0 111.044 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.435 HG12 HG23 ' A' ' 27' ' ' ILE . 27.2 m -123.62 167.81 16.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.346 178.729 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 61.8 tp -97.59 116.12 29.18 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 177.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.552 ' HB ' ' HB2' ' A' ' 22' ' ' CYS . 26.9 m -120.13 149.77 22.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.018 -178.463 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.0 t -157.74 171.47 20.25 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.382 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.606 ' HA3' ' HB ' ' A' ' 44' ' ' VAL . . . -125.74 162.39 19.98 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.413 -0.898 . . . . 0.0 111.28 175.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -66.2 143.59 71.67 Favored 'Trans proline' 0 C--O 1.237 0.466 0 C-N-CA 122.453 2.102 . . . . 0.0 111.751 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.45 -166.02 1.39 Allowed 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 176.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 67.37 -57.43 0.44 Allowed 'General case' 0 C--N 1.321 -0.671 0 O-C-N 124.115 0.884 . . . . 0.0 111.273 -178.323 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 58.9 mt -88.95 -73.45 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.275 -176.252 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.6 m -90.1 -50.3 6.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.797 0.332 . . . . 0.0 111.23 -175.044 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.12 44.49 11.61 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.899 177.046 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.606 ' HB ' ' HA3' ' A' ' 37' ' ' GLY . 39.6 t -78.22 118.09 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 177.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.48 139.33 42.16 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.191 -178.102 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.0 ptt180 -72.29 149.24 44.66 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.389 0.614 . . . . 0.0 112.217 -172.081 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -158.23 150.93 22.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.203 -178.17 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 -92.94 109.82 21.27 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 173.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.7 t -122.53 157.92 27.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.205 -175.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -85.14 148.73 25.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.066 177.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 36.7 pt -84.67 8.2 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -176.246 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 46.2 tp -78.25 -11.0 59.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.907 0.384 . . . . 0.0 111.466 -175.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.417 ' C ' HD12 ' A' ' 54' ' ' LEU . 40.3 m170 -121.76 14.32 10.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.719 0.295 . . . . 0.0 110.989 -178.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.588 HD23 ' SG ' ' A' ' 10' ' ' CYS . 8.9 mp -118.58 128.18 54.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.041 -175.406 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.483 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 4.3 mm-40 -112.96 120.23 41.04 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.385 177.622 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.484 ' HB3' ' HG3' ' A' ' 8' ' ' ARG . 6.2 Cg_exo -80.24 134.17 10.15 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 123.28 2.653 . . . . 0.0 112.129 176.132 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 45.6 p -72.18 165.61 24.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.213 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -66.56 -24.91 66.42 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.767 -178.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -65.97 150.53 48.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.472 177.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -158.68 124.89 4.58 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.002 0.429 . . . . 0.0 111.208 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 15.4 pt -104.42 116.93 49.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 170.17 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -79.51 105.08 10.57 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.364 -170.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 38.4 pt -125.67 -169.45 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.338 176.12 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -121.95 -174.51 2.9 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.092 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -84.89 130.64 34.62 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 121.104 -0.238 . . . . 0.0 110.475 -177.217 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 120.29 24.87 2.58 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.233 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.84 128.93 34.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.799 0.333 . . . . 0.0 110.741 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.489 ' O ' HG23 ' A' ' 72' ' ' VAL . 22.3 p -94.73 169.59 10.05 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.188 -178.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.07 -48.82 70.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.504 178.351 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.558 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 3.7 tp10 -59.97 -42.58 94.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.543 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -60.34 -42.82 96.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.067 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.499 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 69.7 t -61.15 -47.38 93.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.577 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.558 ' HE3' ' HA ' ' A' ' 70' ' ' GLU . 37.8 mtmt -59.97 -40.95 90.81 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.97 0.414 . . . . 0.0 110.796 176.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.413 ' HE2' ' HG2' ' A' ' 75' ' ' LYS . 1.0 OUTLIER -56.35 -46.85 79.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.787 177.577 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.413 ' HG2' ' HE2' ' A' ' 74' ' ' LYS . 21.7 mtpp -80.17 -23.26 41.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.125 -175.324 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 64.8 mt -66.18 -33.59 76.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.107 0.48 . . . . 0.0 109.864 173.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -65.25 -42.33 93.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.546 177.271 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -61.92 -43.84 98.02 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.188 0.518 . . . . 0.0 110.648 177.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.3 m -76.82 -17.65 58.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.749 -175.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 63.93 23.08 13.22 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.37 0.605 . . . . 0.0 110.212 -176.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 30.5 tp -91.9 0.01 57.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.236 -176.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.0 m -54.03 -42.94 69.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.869 -177.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.564 ' O ' ' HB2' ' A' ' 87' ' ' GLU . 50.4 mt-10 -64.72 -41.11 96.21 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.459 -178.706 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -74.68 -31.13 61.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.945 0.403 . . . . 0.0 110.756 -174.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.49 -38.14 49.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.115 0.483 . . . . 0.0 109.877 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -74.15 -31.9 62.92 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.83 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.564 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -77.32 -175.69 3.82 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 178.069 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.477 ' H ' ' CD ' ' A' ' 87' ' ' GLU . 24.7 tptt . . . . . 0 C--N 1.33 -0.258 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.3 mm . . . . . 0 N--CA 1.455 -0.199 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -163.68 -170.65 2.26 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.42 -176.053 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.524 HG11 ' HB2' ' A' ' 65' ' ' LYS . 31.7 m -68.92 139.86 19.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.204 0.526 . . . . 0.0 109.97 177.071 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.59 9.3 72.28 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.518 -0.848 . . . . 0.0 112.175 -177.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -74.09 106.49 5.79 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 58.1 mt -82.62 121.25 35.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.232 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.549 ' HA ' ' HA ' ' A' ' 56' ' ' PRO . 4.7 p -140.72 156.97 46.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.059 -176.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.6 p -117.83 147.61 21.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.33 178.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.436 ' HZ3' HD11 ' A' ' 54' ' ' LEU . 47.1 tptt -72.97 125.14 26.9 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.18 -179.348 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.1 p . . . . . 0 N--CA 1.45 -0.428 0 CA-C-O 123.016 1.388 . . . . 0.0 109.803 -177.885 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.423 0 N-CA-C 111.771 -0.532 . . . . 0.0 111.771 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.5 m -77.25 105.37 8.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.735 0.302 . . . . 0.0 110.301 178.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.586 ' HE2' ' O ' ' A' ' 84' ' ' TYR . 30.7 mttp -101.7 133.01 47.08 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.741 -177.466 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.565 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 58.4 m -141.01 148.56 40.47 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.44 -178.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.482 HG11 HD11 ' A' ' 61' ' ' ILE . 60.1 t -123.71 137.06 58.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.17 -178.085 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.4 mt -67.52 108.86 1.33 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.356 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 176.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.489 HG21 HG22 ' A' ' 36' ' ' THR . 57.5 t -109.53 -36.46 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.805 0.336 . . . . 0.0 111.02 -179.49 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.533 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 20.5 t0 -139.82 143.34 36.77 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.46 179.288 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.411 HG23 HG12 ' A' ' 33' ' ' VAL . 70.0 mt -113.74 115.66 50.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.028 0.442 . . . . 0.0 110.483 -177.734 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.423 ' N ' HD12 ' A' ' 28' ' ' ILE . 3.7 mp -96.81 -63.89 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.964 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -107.56 -159.1 0.68 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -179.179 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -80.06 -57.43 3.63 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.024 0.44 . . . . 0.0 110.738 -178.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.573 HD21 ' HB2' ' A' ' 52' ' ' LEU . 24.0 t-20 -94.93 -34.12 12.52 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-O 121.282 0.563 . . . . 0.0 109.854 179.067 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -84.63 104.29 14.49 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.76 -176.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.411 HG12 HG23 ' A' ' 27' ' ' ILE . 29.1 m -119.29 170.84 8.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.729 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.533 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . 56.2 tp -100.23 115.83 30.8 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 178.517 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.565 ' HB ' ' HB3' ' A' ' 22' ' ' CYS . 35.2 m -112.54 150.76 14.64 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.891 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 176.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.489 HG22 HG21 ' A' ' 25' ' ' VAL . 14.8 t -151.18 144.86 25.03 Favored 'General case' 0 C--N 1.312 -1.023 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.787 179.428 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.485 ' HA3' ' HB ' ' A' ' 44' ' ' VAL . . . -112.45 146.8 18.25 Favored Glycine 0 N--CA 1.441 -1.0 0 N-CA-C 109.866 -1.293 . . . . 0.0 109.866 171.352 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -49.02 122.65 8.68 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.959 2.439 . . . . 0.0 112.608 -175.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.0 ptmm? -71.22 -21.27 62.16 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.035 0.445 . . . . 0.0 110.647 -176.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -84.72 -33.88 23.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.665 -178.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.4 mt -130.26 107.52 14.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.127 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.529 ' OG1' ' HA ' ' A' ' 86' ' ' LYS . 7.9 m 71.7 86.06 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 O-C-N 123.862 0.726 . . . . 0.0 110.196 -175.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.21 77.24 0.58 Allowed Glycine 0 N--CA 1.453 -0.196 0 CA-C-N 115.652 -0.704 . . . . 0.0 113.708 -172.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.485 ' HB ' ' HA3' ' A' ' 37' ' ' GLY . 42.9 t -82.73 -23.96 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.096 0.474 . . . . 0.0 109.906 174.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 36' ' ' THR . 95.5 mttt 66.72 -161.93 0.24 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.371 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 46' ' ' ARG . 16.3 ptt180 -122.87 135.22 54.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.29 -179.508 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -169.51 161.22 9.56 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -95.65 123.91 39.43 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 176.154 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.1 m -139.26 22.85 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 111.546 0.202 . . . . 0.0 111.546 -175.162 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.512 ' HB2' ' OD1' ' A' ' 31' ' ' ASN . 8.1 p30 52.51 175.14 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.784 1.234 . . . . 0.0 112.577 -174.635 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 11.5 pt -119.23 -11.99 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 N-CA-C 112.354 0.502 . . . . 0.0 112.354 -177.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.573 ' HB2' HD21 ' A' ' 31' ' ' ASN . 3.5 tt -67.57 -45.53 75.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.978 0.418 . . . . 0.0 110.217 -176.536 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.408 ' C ' HD12 ' A' ' 54' ' ' LEU . 40.3 m-70 -94.34 26.74 3.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.161 0.505 . . . . 0.0 111.335 -177.385 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 50' ' ' ASN . 8.1 mp -124.79 136.89 54.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.443 -0.799 . . . . 0.0 108.9 170.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -109.96 128.99 24.43 Favored Pre-proline 0 C--N 1.318 -0.801 0 CA-C-O 120.833 0.349 . . . . 0.0 110.266 -176.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.549 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 87.7 Cg_endo -80.65 160.08 21.94 Favored 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 122.969 2.446 . . . . 0.0 113.263 -174.286 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 59.3 p -92.95 178.93 5.6 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.18 175.188 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -79.25 -4.58 51.38 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.914 0.388 . . . . 0.0 110.808 178.261 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -106.69 149.1 27.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.179 0.514 . . . . 0.0 111.176 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.1 ttpp -141.23 154.11 45.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.167 -0.924 . . . . 0.0 108.809 176.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.482 HD11 HG11 ' A' ' 23' ' ' VAL . 21.2 pt -116.66 157.53 17.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 174.25 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.91 46.6 1.12 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.177 0.513 . . . . 0.0 110.638 -174.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.7 pp -73.38 175.51 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.226 178.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -96.88 146.99 24.42 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.417 -176.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.524 ' HB2' HG11 ' A' ' 6' ' ' VAL . 7.7 ttpm? -65.65 112.95 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 177.181 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.23 37.77 5.85 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.23 -177.105 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.2 163.21 23.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.722 0.296 . . . . 0.0 110.466 176.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.436 ' O ' HG23 ' A' ' 72' ' ' VAL . 48.1 p -95.77 166.97 11.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.162 -178.339 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.453 ' O ' ' HG3' ' A' ' 73' ' ' LYS . 10.8 t70 -56.66 -35.07 67.98 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.739 176.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.47 ' HA ' ' NZ ' ' A' ' 73' ' ' LYS . 3.7 tp10 -64.69 -51.05 64.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.103 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.615 ' HA ' ' HD3' ' A' ' 74' ' ' LYS . 31.7 tp10 -59.4 -42.71 92.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.422 -178.018 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 68' ' ' SER . 97.7 t -60.8 -45.05 98.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.428 -179.315 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.47 ' NZ ' ' HA ' ' A' ' 70' ' ' GLU . 34.0 mtmm -65.89 -37.29 85.73 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 120.543 0.211 . . . . 0.0 111.263 -178.09 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.615 ' HD3' ' HA ' ' A' ' 71' ' ' GLU . 45.0 mtpt -60.29 -56.78 17.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.583 0.706 . . . . 0.0 110.284 177.331 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.444 ' HD3' ' HA ' ' A' ' 75' ' ' LYS . 26.3 mmtp -62.75 -32.13 73.21 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.909 -1.042 . . . . 0.0 111.604 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.4 HD12 ' HB3' ' A' ' 81' ' ' LEU . 41.2 tp -65.68 -41.2 92.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.896 0.379 . . . . 0.0 110.158 176.559 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.66 -40.51 92.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.062 179.053 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -59.79 -36.74 77.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.502 178.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.1 m -87.7 -10.51 50.97 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.754 0.311 . . . . 0.0 111.234 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 63.35 24.8 14.37 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.809 0.814 . . . . 0.0 110.375 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.4 ' HB3' HD12 ' A' ' 76' ' ' LEU . 21.6 tp -90.47 8.77 32.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.481 -175.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.6 m -55.81 -39.95 72.06 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.529 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -57.66 -51.88 67.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.132 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.586 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 13.4 t80 -67.12 -29.96 69.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.152 -172.581 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 19.7 mmt -72.32 -39.94 67.84 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 120.898 0.38 . . . . 0.0 111.188 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.529 ' HA ' ' OG1' ' A' ' 42' ' ' THR . 88.9 tttt -76.49 -58.31 3.35 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.594 -175.485 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -101.61 130.05 47.86 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.105 0.479 . . . . 0.0 111.419 -170.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.07 177.187 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 39.9 mm . . . . . 0 CA--C 1.533 0.318 0 CA-C-O 121.84 0.828 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.406 ' HG2' ' H ' ' A' ' 6' ' ' VAL . 13.2 tt0 -176.37 -167.33 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 177.544 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.56 HG12 ' HA ' ' A' ' 25' ' ' VAL . 33.8 m -69.67 148.3 11.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.214 0.531 . . . . 0.0 111.596 -177.31 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.559 ' O ' ' HB2' ' A' ' 60' ' ' LYS . . . 94.7 -33.43 5.35 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.78 -0.724 . . . . 0.0 113.413 173.182 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.439 HH21 ' HA ' ' A' ' 58' ' ' ASP . 6.2 tpt180 -84.16 113.82 21.34 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.854 0.327 . . . . 0.0 110.599 -176.08 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.723 HG12 ' HA ' ' A' ' 60' ' ' LYS . 51.1 mm -71.7 125.81 30.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.32 -179.559 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 56' ' ' PRO . 56.5 m -123.59 146.71 47.95 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.202 -177.484 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.4 p -112.35 141.03 29.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.061 0.458 . . . . 0.0 110.999 -177.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.964 ' HD3' ' HB2' ' A' ' 20' ' ' SER . 50.6 mtpt -70.24 125.68 27.48 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.343 178.455 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.462 HG22 ' HA ' ' A' ' 54' ' ' LEU . 14.9 m . . . . . 0 C--N 1.324 -0.53 0 CA-C-O 121.498 0.666 . . . . 0.0 111.745 -174.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.434 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.964 ' HB2' ' HD3' ' A' ' 12' ' ' LYS . 5.9 m -130.35 113.66 14.63 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 178.272 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.489 ' NZ ' ' HB3' ' A' ' 87' ' ' GLU . 8.9 mptt -102.62 138.66 39.23 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 175.536 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 83.4 m -140.77 159.95 41.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.731 0.3 . . . . 0.0 110.652 -176.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.3 t -120.0 140.57 43.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.345 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 59.0 mt -93.18 131.45 40.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 175.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.56 ' HA ' HG12 ' A' ' 6' ' ' VAL . 11.8 m -122.08 -37.4 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -177.391 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.498 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 43.3 t0 -127.1 126.8 43.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.171 0.51 . . . . 0.0 110.751 -176.173 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.6 mm -95.06 102.28 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.542 -178.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 41.0 mm -79.86 -43.8 22.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.434 0.635 . . . . 0.0 110.316 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.503 ' CG ' ' H ' ' A' ' 30' ' ' ASP . 28.7 t70 -150.94 -172.18 4.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.202 -0.908 . . . . 0.0 108.885 -178.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.503 ' H ' ' CG ' ' A' ' 29' ' ' ASP . 4.3 m-20 -88.24 -19.83 26.3 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 120.923 0.392 . . . . 0.0 110.232 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -106.04 -32.69 8.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.561 175.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.428 ' HA ' ' HA ' ' A' ' 50' ' ' ASN . 97.1 m-85 -110.02 134.18 52.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.027 -177.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.8 m -136.9 173.95 12.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.735 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.498 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . 5.9 tt -109.92 115.47 29.86 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 173.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 30.8 m -106.82 149.5 10.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.668 -178.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.2 t -125.91 138.93 53.81 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.584 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.56 ' HA3' ' HB ' ' A' ' 44' ' ' VAL . . . -107.78 160.28 14.03 Favored Glycine 0 N--CA 1.441 -0.974 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 175.637 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.77 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 50.9 Cg_endo -72.4 95.91 0.79 Allowed 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 122.436 2.091 . . . . 0.0 112.387 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.505 ' O ' ' HE3' ' A' ' 73' ' ' LYS . 14.8 tmtt? -75.9 144.31 41.21 Favored 'General case' 0 N--CA 1.436 -1.159 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 177.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.494 ' HB2' ' O ' ' A' ' 39' ' ' LYS . 17.4 m-20 77.42 -27.66 0.17 Allowed 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.559 -1.201 . . . . 0.0 111.305 -173.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.77 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 75.3 mt -82.92 -59.77 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.745 0.307 . . . . 0.0 110.227 177.317 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.489 ' OG1' ' HG2' ' A' ' 38' ' ' PRO . 23.5 p -111.92 -54.71 2.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.995 0.426 . . . . 0.0 110.35 175.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.71 14.31 4.8 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.55 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.56 ' HB ' ' HA3' ' A' ' 37' ' ' GLY . 60.9 t -66.32 126.05 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.759 0.314 . . . . 0.0 110.801 178.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -78.24 158.14 29.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.065 -177.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 -125.65 132.71 52.4 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.543 -171.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.73 -178.89 2.34 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.174 175.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -80.02 131.74 35.85 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.712 0.291 . . . . 0.0 110.726 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.481 HG22 ' H ' ' A' ' 50' ' ' ASN . 8.9 p -157.56 172.09 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 -177.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.481 ' H ' HG22 ' A' ' 49' ' ' VAL . 26.4 p-10 -72.11 -177.04 1.94 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.837 0.351 . . . . 0.0 111.02 179.062 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.455 ' O ' HD22 ' A' ' 54' ' ' LEU . 23.5 pt -58.99 -22.03 20.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -177.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 43.5 tp 72.4 -11.32 0.83 Allowed 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 172.389 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 83.6 t60 67.77 83.0 0.17 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.757 0.789 . . . . 0.0 110.206 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.472 ' H ' HD23 ' A' ' 54' ' ' LEU . 1.4 pt? -137.19 164.55 28.22 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.179 -178.285 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.481 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 43.7 mt-10 -125.5 134.76 26.12 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.791 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 55' ' ' GLU . 6.7 Cg_exo -73.21 142.98 34.81 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.879 2.386 . . . . 0.0 112.411 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 40.6 p -99.89 177.24 5.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.64 176.067 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.439 ' HA ' HH21 ' A' ' 8' ' ' ARG . 0.6 OUTLIER -80.3 -38.85 29.93 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.908 -179.472 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -75.99 134.28 40.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.25 0.547 . . . . 0.0 109.878 178.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.723 ' HA ' HG12 ' A' ' 9' ' ' ILE . 17.6 pttp -148.33 -167.75 2.9 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.861 -176.233 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.407 HG13 ' HA2' ' A' ' 7' ' ' GLY . 20.2 pt -120.17 -170.39 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 175.666 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.49 ' HB3' ' HE2' ' A' ' 75' ' ' LYS . 25.0 t70 -141.04 94.87 2.76 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -177.674 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.9 pt -136.45 175.61 9.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.163 -174.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -94.73 145.27 24.98 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.778 177.025 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.558 ' HA ' HG11 ' A' ' 6' ' ' VAL . 33.5 ttpt -69.18 112.06 5.53 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.128 0.49 . . . . 0.0 110.499 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 114.75 1.73 22.72 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.843 -175.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.75 145.11 35.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.976 0.417 . . . . 0.0 111.861 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.1 m -92.03 175.76 6.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.918 -179.052 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -56.82 -40.51 76.13 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.189 -0.46 . . . . 0.0 112.146 -175.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 0.8 OUTLIER -56.52 -49.47 74.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.122 0.487 . . . . 0.0 110.094 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -66.39 -40.97 90.0 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.905 -178.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.55 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 93.1 t -62.28 -48.59 87.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.325 177.011 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.505 ' HE3' ' O ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -55.69 -45.17 77.86 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.708 -178.802 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' A' ' 70' ' ' GLU . 32.7 mmtp -62.62 -47.04 85.47 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.465 -179.503 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.49 ' HE2' ' HB3' ' A' ' 62' ' ' ASP . 30.7 tptt -67.06 -33.73 76.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.95 -177.135 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 88.6 mt -60.89 -41.9 96.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.969 174.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -67.96 -46.39 71.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.711 178.048 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -53.76 -45.17 70.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.412 178.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.1 m -81.65 -7.61 59.61 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.343 -177.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.5 t30 60.55 26.48 16.14 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.773 0.797 . . . . 0.0 109.339 -175.467 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.52 HD21 HG13 ' A' ' 9' ' ' ILE . 43.7 tp -74.75 -19.31 60.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.2 -176.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.9 m -51.95 -35.14 45.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.177 178.091 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -61.29 -51.49 68.66 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.396 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.477 ' CZ ' ' HE2' ' A' ' 21' ' ' LYS . 53.9 t80 -78.28 -32.52 49.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.935 -179.143 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 12.6 ttt -72.7 -22.82 60.83 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.659 0.266 . . . . 0.0 111.347 -174.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -85.7 0.31 53.1 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.289 0.566 . . . . 0.0 110.205 178.311 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.489 ' HB3' ' NZ ' ' A' ' 21' ' ' LYS . 29.0 tt0 -64.99 111.37 2.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.288 0.566 . . . . 0.0 110.085 177.251 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 50.4 pttt . . . . . 0 C--N 1.319 -0.752 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.748 -171.326 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.466 HG13 HD13 ' A' ' 51' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.446 -0.656 0 CA-C-O 121.014 0.435 . . . . 0.0 110.953 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.531 ' HA ' HD11 ' A' ' 27' ' ' ILE . 26.4 tt0 -154.09 175.4 13.48 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 177.288 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.595 HG21 ' HA ' ' A' ' 65' ' ' LYS . 7.9 p -56.65 133.01 21.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.237 0.541 . . . . 0.0 111.369 -179.074 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.09 -4.52 67.78 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.483 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.557 ' HB3' HD12 ' A' ' 24' ' ' ILE . 24.1 tpt85 -79.56 101.21 8.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.838 0.351 . . . . 0.0 110.548 -178.417 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.607 HG12 HG22 ' A' ' 23' ' ' VAL . 58.6 mt -69.12 128.7 33.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.009 176.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.619 ' HA ' ' HA ' ' A' ' 56' ' ' PRO . 39.8 m -132.63 151.22 52.01 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.031 -178.283 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.5 p -118.67 151.28 20.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.108 0.48 . . . . 0.0 110.982 -175.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 48.9 mmtm -78.67 95.35 5.25 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 174.357 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.5 p . . . . . 0 C--N 1.325 -0.473 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.047 -175.238 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.243 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.5 m -79.28 95.75 5.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.063 0.458 . . . . 0.0 110.328 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -105.56 137.37 43.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.289 -177.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 33.0 m -133.95 151.78 51.61 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.15 -177.414 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.607 HG22 HG12 ' A' ' 9' ' ' ILE . 46.5 t -110.08 130.24 63.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.517 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.557 HD12 ' HB3' ' A' ' 8' ' ' ARG . 63.0 mt -70.13 112.96 5.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.743 174.562 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.3 m -109.2 -30.17 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -177.036 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.572 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 18.2 t70 -139.32 118.45 12.65 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.946 0.403 . . . . 0.0 110.62 -179.136 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.531 HD11 ' HA ' ' A' ' 5' ' ' GLU . 53.4 mt -85.29 96.5 4.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.898 178.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 52.9 mt -74.66 -62.59 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.561 ' HB2' ' HB3' ' A' ' 32' ' ' PHE . 2.2 m-20 -125.31 -167.49 1.69 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.566 177.293 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -79.55 -31.77 42.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.612 0.244 . . . . 0.0 111.467 -178.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.4 ' O ' HG13 ' A' ' 51' ' ' ILE . 13.2 t-20 -117.4 -25.78 6.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.991 0.424 . . . . 0.0 110.707 177.694 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.561 ' HB3' ' HB2' ' A' ' 29' ' ' ASP . 25.0 t80 -89.51 120.6 30.97 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 176.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.44 HG22 ' N ' ' A' ' 34' ' ' LEU . 11.4 p -139.54 162.21 26.76 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 CA-C-O 121.34 0.591 . . . . 0.0 111.328 -172.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.572 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . 60.3 tp -109.65 116.82 32.45 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.264 177.527 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.407 HG12 ' HA ' ' A' ' 24' ' ' ILE . 31.2 m -121.63 151.37 25.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.041 0.448 . . . . 0.0 110.968 -177.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.3 t -148.57 166.85 27.01 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 175.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.534 ' HA3' ' HB ' ' A' ' 44' ' ' VAL . . . -139.14 116.69 1.27 Allowed Glycine 0 N--CA 1.44 -1.055 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 177.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.759 ' HG2' HD12 ' A' ' 76' ' ' LEU . 26.4 Cg_exo -30.87 111.89 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 124.345 3.363 . . . . 0.0 113.264 -176.458 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.855 ' HA ' ' HA2' ' A' ' 43' ' ' GLY . 59.9 mttp -78.88 0.79 25.84 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.069 -170.174 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.791 ' HB3' ' HD2' ' A' ' 73' ' ' LYS . 18.3 t70 -99.92 -15.98 18.15 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.7 0.762 . . . . 0.0 109.61 171.028 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.594 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 72.6 mt -102.75 -63.05 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.025 -176.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.486 HG23 HG23 ' A' ' 44' ' ' VAL . 9.5 t -115.86 -31.35 5.8 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.988 0.423 . . . . 0.0 110.739 -177.273 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.855 ' HA2' ' HA ' ' A' ' 39' ' ' LYS . . . 81.48 65.73 1.65 Allowed Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.725 177.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.534 ' HB ' ' HA3' ' A' ' 37' ' ' GLY . 90.0 t -111.98 119.31 59.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 175.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.705 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 24.8 mtpp -71.25 153.21 42.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.951 -178.048 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -70.38 124.29 23.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.109 0.481 . . . . 0.0 110.405 -178.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -148.75 142.41 25.5 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.076 -178.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 59.5 mtm180 -87.82 114.12 24.13 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 178.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.4 t -122.44 143.83 33.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.768 -173.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -83.78 135.09 34.67 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.933 174.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.466 HD13 HG13 ' A' ' 4' ' ' ILE . 52.2 mt -67.02 -8.98 8.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.366 0.603 . . . . 0.0 110.699 -178.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 38.9 tp -63.52 -11.94 28.2 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.379 177.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -130.83 27.39 4.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.732 0.301 . . . . 0.0 110.485 177.114 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 30.8 tp -137.15 126.4 24.72 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.922 -175.45 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -121.77 136.47 26.13 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 120.893 0.378 . . . . 0.0 110.314 178.064 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.619 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 90.1 Cg_endo -77.67 158.4 31.92 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.87 2.38 . . . . 0.0 113.704 -174.237 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.562 HG22 ' H ' ' A' ' 58' ' ' ASP . 0.9 OUTLIER -86.66 -175.4 5.41 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 175.461 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.562 ' H ' HG22 ' A' ' 57' ' ' THR . 5.4 m-20 -53.44 -74.58 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -176.198 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -105.6 167.33 9.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.297 0.57 . . . . 0.0 112.25 -172.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -112.37 141.02 46.61 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.512 -178.296 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.6 pt -86.37 142.79 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 176.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -93.09 93.07 8.1 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.156 0.503 . . . . 0.0 111.235 -173.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 34.8 pt -115.29 179.54 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.888 176.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -97.19 140.62 31.42 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.461 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.595 ' HA ' HG21 ' A' ' 6' ' ' VAL . 1.7 tmmt? -61.5 126.44 27.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.523 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.61 49.24 3.95 Favored Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -175.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -99.39 153.25 19.14 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.881 0.372 . . . . 0.0 111.123 -176.177 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.9 p -92.9 171.12 9.17 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.404 178.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.453 ' OD1' ' HA ' ' A' ' 38' ' ' PRO . 7.7 t70 -60.88 -35.57 76.96 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -63.38 -47.84 80.35 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.085 176.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -58.19 -51.08 71.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.673 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 44.6 t -62.87 -39.28 84.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.477 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.791 ' HD2' ' HB3' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -62.3 -47.11 85.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.209 179.028 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt -64.29 -42.31 96.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.203 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.75 -43.42 88.98 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.824 0.345 . . . . 0.0 110.512 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.759 HD12 ' HG2' ' A' ' 38' ' ' PRO . 21.4 mt -64.0 -33.24 75.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.373 178.328 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -76.38 -40.97 49.59 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.984 0.421 . . . . 0.0 110.081 178.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -59.41 -49.88 76.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.316 177.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.1 m -76.1 -8.34 56.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.387 178.33 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 62.36 21.32 12.46 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.152 177.229 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 30.2 tp -83.32 -7.23 59.62 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.11 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.3 t -53.66 -32.78 52.89 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.547 173.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -57.96 -51.52 69.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.487 177.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -71.6 -22.03 61.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.726 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 11.3 tpt -71.21 -31.29 67.42 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 177.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.68 -37.56 30.55 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 120.884 0.373 . . . . 0.0 110.347 174.52 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.33 128.02 34.32 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.068 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.512 ' NZ ' ' HB2' ' A' ' 88' ' ' LYS . 4.1 ttmp? . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.254 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.1 mm . . . . . 0 C--O 1.233 0.213 0 CA-C-O 121.441 0.639 . . . . 0.0 110.125 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.445 ' HB3' ' HB2' ' A' ' 8' ' ' ARG . 12.2 tp10 -91.28 140.34 29.88 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.224 -174.493 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.3 m -64.35 109.92 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.626 0.727 . . . . 0.0 110.968 -178.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.97 -1.01 62.84 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.26 -0.882 . . . . 0.0 113.174 178.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.544 ' HA ' ' HA ' ' A' ' 60' ' ' LYS . 27.3 ttt180 -85.05 116.97 23.73 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 118.002 0.901 . . . . 0.0 109.938 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 64.2 mt -68.34 131.23 33.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.436 -175.274 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 56' ' ' PRO . 57.0 m -120.09 157.87 28.05 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.591 -176.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.6 p -126.14 145.58 33.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 177.086 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.577 ' HE3' ' SG ' ' A' ' 22' ' ' CYS . 1.6 mptm? -66.74 132.66 48.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.157 -177.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.6 m . . . . . 0 C--N 1.322 -0.627 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.542 177.164 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.789 0 N-CA-C 112.311 -0.316 . . . . 0.0 112.311 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.3 p -158.49 145.02 17.3 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.139 0.495 . . . . 0.0 111.926 -177.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -101.17 145.04 29.32 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 171.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.577 ' SG ' ' HE3' ' A' ' 12' ' ' LYS . 63.0 m -145.47 156.33 43.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.629 0.252 . . . . 0.0 111.137 -176.69 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.3 p -125.21 148.14 29.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 177.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.78 HG13 HG12 ' A' ' 35' ' ' VAL . 4.2 mp -91.58 122.58 43.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.7 m -96.32 -28.45 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -177.109 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.527 ' OD2' ' HG2' ' A' ' 65' ' ' LYS . 14.8 t70 -155.23 138.46 15.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.912 0.387 . . . . 0.0 110.632 -179.614 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.474 ' HB ' ' HE2' ' A' ' 65' ' ' LYS . 43.6 mm -86.44 105.96 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.426 175.693 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.3 mm -76.87 -57.91 5.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.94 0.4 . . . . 0.0 110.63 -176.074 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -136.3 -172.32 3.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.591 -178.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -63.76 -37.22 86.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.504 179.095 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.441 ' O ' ' HA ' ' A' ' 50' ' ' ASN . 50.0 t30 -111.63 -30.0 7.51 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.927 -177.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -92.98 123.98 36.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.172 0.51 . . . . 0.0 111.691 -177.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.0 m -126.78 152.26 34.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.013 176.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 tt -96.8 116.11 28.58 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.78 HG12 HG13 ' A' ' 24' ' ' ILE . 35.0 m -114.79 151.6 16.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.692 -178.219 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.491 ' HB ' ' HA ' ' A' ' 46' ' ' ARG . 7.2 t -167.71 171.18 10.33 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.727 178.057 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.56 169.59 20.71 Favored Glycine 0 N--CA 1.441 -0.991 0 N-CA-C 110.029 -1.229 . . . . 0.0 110.029 172.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -67.01 95.95 0.37 Allowed 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.924 1.749 . . . . 0.0 110.883 175.299 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.594 ' HA ' ' O ' ' A' ' 42' ' ' THR . 3.8 ptpp? -74.84 1.98 11.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.521 0.676 . . . . 0.0 111.053 -173.104 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.552 ' HB3' ' HD3' ' A' ' 73' ' ' LYS . 38.4 t70 -91.57 -12.57 33.99 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.891 173.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.602 HG23 ' HD2' ' A' ' 86' ' ' LYS . 2.5 mp -120.48 -53.97 3.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.274 179.142 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.594 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 5.8 m -114.18 152.24 31.51 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.892 -177.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.88 52.65 4.49 Favored Glycine 0 CA--C 1.518 0.236 0 C-N-CA 120.779 -0.724 . . . . 0.0 113.124 -176.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.0 t -115.27 126.52 72.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 179.069 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.488 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 98.9 mttt -113.51 170.44 8.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.014 -175.384 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.491 ' HA ' ' HB ' ' A' ' 36' ' ' THR . 0.0 OUTLIER -84.59 136.35 33.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.292 0.568 . . . . 0.0 112.395 -171.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.8 mtt180 -153.43 149.26 27.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.126 175.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -97.81 115.56 28.28 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.06 0.457 . . . . 0.0 110.016 174.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.3 m -125.69 177.91 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.959 -175.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.441 ' HA ' ' O ' ' A' ' 31' ' ' ASN . 26.1 p-10 -96.45 152.48 18.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.319 178.207 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.401 ' H ' HG12 ' A' ' 51' ' ' ILE . 12.2 pt -79.05 78.41 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.402 0.62 . . . . 0.0 111.755 -178.068 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 29.5 tp -164.09 35.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.761 179.079 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -136.78 -37.09 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -176.23 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.507 HD13 ' N ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -126.22 155.07 42.4 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.214 0.53 . . . . 0.0 112.099 -173.747 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -124.56 140.97 36.56 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.707 174.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.415 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 39.4 Cg_endo -66.47 152.59 80.51 Favored 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 122.927 2.418 . . . . 0.0 113.501 -174.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 67.7 p -92.52 -165.94 1.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.859 175.281 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -81.07 -21.24 40.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.81 0.338 . . . . 0.0 110.956 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -96.73 146.13 25.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.559 0.695 . . . . 0.0 112.576 -172.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.544 ' HA ' ' HA ' ' A' ' 8' ' ' ARG . 16.4 ttpt -138.14 122.53 18.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.583 175.638 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.6 pt -88.84 111.64 22.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 172.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.468 ' HA ' ' HE3' ' A' ' 60' ' ' LYS . 18.4 t70 -66.33 102.57 0.88 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.435 -172.047 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.7 pt -125.75 -174.24 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.335 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -118.29 150.87 38.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.939 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.527 ' HG2' ' OD2' ' A' ' 26' ' ' ASP . 63.1 tttm -55.39 109.72 0.59 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.099 0.476 . . . . 0.0 110.596 178.704 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.53 50.52 0.97 Allowed Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 111.623 -0.591 . . . . 0.0 111.623 -177.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.71 -174.75 2.98 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.744 0.307 . . . . 0.0 110.686 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.1 m -150.63 179.33 8.27 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.544 ' OD2' ' HG2' ' A' ' 39' ' ' LYS . 2.6 m-20 -52.79 -41.17 63.87 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -175.544 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -56.86 -52.09 66.49 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 120.906 0.384 . . . . 0.0 110.583 -178.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -58.28 -47.1 84.71 Favored 'General case' 0 N--CA 1.439 -0.975 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.654 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 89.9 t -55.69 -50.9 64.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.479 178.25 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.552 ' HD3' ' HB3' ' A' ' 40' ' ' ASP . 40.7 mtmt -64.44 -39.38 93.72 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.174 0.512 . . . . 0.0 110.283 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -56.19 -46.1 79.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.488 178.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -77.71 -31.98 52.67 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.232 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.4 HD21 ' HA ' ' A' ' 82' ' ' THR . 32.8 tp -66.19 -38.77 88.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.454 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -62.02 -47.82 83.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.715 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -59.04 -45.7 90.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.997 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.3 m -76.32 -21.54 56.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.831 -176.278 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 55.81 58.25 4.6 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.983 0.897 . . . . 0.0 109.636 -174.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.568 HD13 ' O ' ' A' ' 81' ' ' LEU . 0.9 OUTLIER -114.28 8.2 16.68 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.152 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.4 ' HA ' HD21 ' A' ' 76' ' ' LEU . 1.7 m -55.08 -45.95 75.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.662 -1.154 . . . . 0.0 112.299 -174.254 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -67.47 -36.16 80.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.797 0.332 . . . . 0.0 111.642 -176.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -77.35 -28.31 52.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.056 0.455 . . . . 0.0 110.718 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.32 -41.24 28.43 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.907 0.384 . . . . 0.0 110.027 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.602 ' HD2' HG23 ' A' ' 41' ' ' ILE . 82.5 tttt -73.65 -6.54 47.35 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.494 0.664 . . . . 0.0 110.523 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -66.09 118.06 9.31 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.684 176.108 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 63.2 pttt . . . . . 0 C--N 1.317 -0.825 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.482 178.649 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.4 mm . . . . . 0 C--O 1.234 0.266 0 CA-C-O 121.634 0.73 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.433 ' CG ' ' HB2' ' A' ' 8' ' ' ARG . 15.5 pt-20 -143.98 164.0 31.85 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.907 -175.497 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.454 ' HA ' ' O ' ' A' ' 24' ' ' ILE . 17.4 m -73.61 126.65 34.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.154 0.502 . . . . 0.0 110.352 177.228 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.479 ' HA3' HG12 ' A' ' 63' ' ' ILE . . . 98.7 -4.52 59.61 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.637 -0.792 . . . . 0.0 113.067 178.709 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.433 ' HB2' ' CG ' ' A' ' 5' ' ' GLU . 13.0 ttt180 -97.13 111.18 23.53 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.236 -0.586 . . . . 0.0 109.884 178.464 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.714 HG13 HG22 ' A' ' 23' ' ' VAL . 3.7 mp -68.55 110.15 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.331 -178.569 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 55.5 m -103.39 141.25 36.28 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 -178.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.501 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 5.6 p -149.19 136.72 13.79 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.419 -176.527 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.501 ' HG3' ' O ' ' A' ' 11' ' ' VAL . 0.1 OUTLIER 50.99 174.58 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 125.058 1.343 . . . . 0.0 114.527 176.775 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 47.0 t . . . . . 0 C--N 1.323 -0.551 0 CA-C-N 114.905 -1.043 . . . . 0.0 108.326 172.608 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.176 0 N-CA-C 111.557 -0.617 . . . . 0.0 111.557 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.7 m -118.36 141.89 48.08 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 -175.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.639 ' HD2' ' SD ' ' A' ' 85' ' ' MET . 35.1 mttp -92.33 141.85 28.09 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.152 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.546 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 32.2 m -133.64 143.11 48.39 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.174 0.512 . . . . 0.0 110.079 176.487 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.714 HG22 HG13 ' A' ' 9' ' ' ILE . 42.1 t -108.08 121.29 60.85 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.311 -179.052 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.454 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 61.4 mt -74.95 104.49 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 174.746 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.9 m -101.71 -22.16 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.732 -175.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.604 ' HA ' ' HG3' ' A' ' 65' ' ' LYS . 2.8 t0 -147.85 162.29 39.55 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 -178.301 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.1 mm -121.58 111.75 32.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.286 -176.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.571 HG21 ' HD3' ' A' ' 48' ' ' ARG . 38.2 mm -90.5 -53.89 8.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.072 0.463 . . . . 0.0 109.975 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.546 ' HB2' ' H ' ' A' ' 32' ' ' PHE . 15.2 m-20 -128.75 -176.52 3.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.213 176.289 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -85.73 -3.26 58.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.538 0.685 . . . . 0.0 109.481 175.215 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -118.66 -50.07 2.43 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.02 176.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.546 ' H ' ' HB2' ' A' ' 29' ' ' ASP . 92.5 m-85 -88.88 106.66 18.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.825 179.463 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.7 m -102.16 158.74 4.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.01 176.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 tt -94.39 114.4 26.43 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.242 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.546 ' HB ' ' HB3' ' A' ' 22' ' ' CYS . 29.5 m -114.29 146.98 18.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.403 -179.23 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.4 t -149.92 153.74 37.15 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.107 177.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.41 137.16 11.57 Favored Glycine 0 N--CA 1.441 -1.015 0 N-CA-C 110.416 -1.074 . . . . 0.0 110.416 174.057 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.841 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 99.2 Cg_exo -43.99 123.66 4.25 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 123.212 2.608 . . . . 0.0 111.976 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -46.68 -50.15 18.23 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -170.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -92.72 -31.62 15.01 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.875 0.369 . . . . 0.0 111.497 -175.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.841 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 68.6 mt -79.13 -40.89 22.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.833 -174.131 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.5 m -124.41 -45.95 1.92 Allowed 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.951 -0.3 . . . . 0.0 111.377 -175.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.12 61.03 3.88 Favored Glycine 0 CA--C 1.521 0.446 0 C-N-CA 121.05 -0.595 . . . . 0.0 113.054 178.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.7 t -111.2 128.21 67.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 122.618 -0.343 . . . . 0.0 110.496 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -66.55 142.8 57.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.261 -179.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.556 ' HD2' ' N ' ' A' ' 46' ' ' ARG . 1.5 mpt_? -99.04 133.4 43.37 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.758 0.313 . . . . 0.0 111.052 -173.483 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -169.99 169.41 8.13 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 177.285 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.571 ' HD3' HG21 ' A' ' 28' ' ' ILE . 74.6 mtt180 -78.85 106.27 10.75 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 177.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.8 t -112.15 144.82 19.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 120.847 0.356 . . . . 0.0 110.867 -173.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -64.16 146.13 54.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.654 178.31 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.2 pt -73.53 16.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.948 178.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 35.7 tp -112.94 5.44 17.3 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.219 0.533 . . . . 0.0 110.126 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 36.3 t60 -92.86 -16.64 25.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.735 -177.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -153.33 159.13 42.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.181 -179.078 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.424 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 46.0 mt-10 -116.32 148.45 41.68 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.417 179.446 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 55' ' ' GLU . 16.8 Cg_exo -66.31 138.94 52.88 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.822 2.348 . . . . 0.0 111.918 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 64.2 p -92.69 -172.57 3.08 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.248 0.547 . . . . 0.0 111.882 -176.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -76.43 -22.86 54.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.88 -177.2 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 50.4 mttm -125.67 151.75 46.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.121 0.486 . . . . 0.0 111.505 -171.548 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.41 ' HB3' ' HG3' ' A' ' 8' ' ' ARG . 18.1 ptmt -139.59 153.62 47.42 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.195 178.464 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.416 ' O ' HG13 ' A' ' 61' ' ' ILE . 35.1 pt -107.52 113.16 42.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 168.688 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -71.12 99.7 1.9 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.404 0.621 . . . . 0.0 111.397 -171.211 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.479 HG12 ' HA3' ' A' ' 7' ' ' GLY . 37.1 pt -123.8 -171.09 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.828 177.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -112.39 169.35 8.94 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.708 177.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.604 ' HG3' ' HA ' ' A' ' 26' ' ' ASP . 28.3 ttpp -73.05 127.25 32.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.142 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.03 24.25 7.73 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.633 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.11 143.39 32.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.769 0.319 . . . . 0.0 110.711 177.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.44 ' O ' HG23 ' A' ' 72' ' ' VAL . 46.2 p -103.65 172.75 6.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.294 -177.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.539 ' OD2' ' HA ' ' A' ' 38' ' ' PRO . 15.9 t70 -53.75 -32.89 53.94 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.548 177.431 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -58.65 -51.82 68.32 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.398 -178.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -71.31 -34.33 70.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.309 -177.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 68' ' ' SER . 85.0 t -58.56 -40.8 80.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.271 177.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.754 ' HE3' ' HB3' ' A' ' 38' ' ' PRO . 1.5 mptm? -64.63 -34.43 78.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.309 178.784 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.481 ' O ' ' HG3' ' A' ' 78' ' ' GLU . 4.5 tmtt? -77.54 -43.48 31.79 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.814 0.34 . . . . 0.0 110.575 -177.3 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.484 ' HB2' ' HE2' ' A' ' 75' ' ' LYS . 18.3 ttmm -78.93 -24.25 44.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.319 -175.496 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 22.3 tp -63.79 -37.49 87.56 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 173.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.479 ' HB3' ' O ' ' A' ' 74' ' ' LYS . 28.6 tt0 -60.51 -51.49 69.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.529 173.637 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 41.9 mt-10 -56.92 -41.3 77.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.29 -178.355 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.9 m -79.41 -11.49 59.91 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.523 -178.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 57.74 45.74 18.33 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.664 0.745 . . . . 0.0 109.84 -178.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 22.4 tp -119.14 11.53 12.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.027 -176.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.4 m -54.48 -54.24 43.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.006 -0.997 . . . . 0.0 112.449 -173.228 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -66.67 -43.69 83.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.188 0.518 . . . . 0.0 110.976 -175.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -61.09 -31.86 71.53 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.725 -177.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.639 ' SD ' ' HD2' ' A' ' 21' ' ' LYS . 14.0 tpt -75.1 -36.63 61.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.779 179.635 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -62.22 -42.86 99.69 Favored 'General case' 0 C--O 1.236 0.363 0 O-C-N 123.493 0.496 . . . . 0.0 110.9 -179.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -63.06 131.67 49.35 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.995 -178.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 53.6 mttp . . . . . 0 C--N 1.323 -0.576 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.303 -179.808 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.477 HD13 HD13 ' A' ' 51' ' ' ILE . 97.5 mt . . . . . 0 CA--C 1.529 0.146 0 CA-C-O 121.269 0.556 . . . . 0.0 110.611 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -152.71 168.31 26.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.202 -173.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.5 HG11 ' HA ' ' A' ' 65' ' ' LYS . 16.2 m -69.15 137.38 24.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.045 0.45 . . . . 0.0 111.218 -179.219 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.65 -13.13 59.39 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.659 -0.701 . . . . 0.0 112.822 177.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -86.3 136.15 33.26 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.911 0.386 . . . . 0.0 110.003 -177.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.595 HG12 HG22 ' A' ' 23' ' ' VAL . 63.8 mt -79.92 129.34 37.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.962 -176.645 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.426 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 2.2 p -112.58 133.17 54.76 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.095 0.474 . . . . 0.0 110.105 175.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.5 p -101.45 143.63 14.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.366 -178.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -75.49 103.25 5.54 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.774 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.5 m . . . . . 0 C--N 1.327 -0.389 0 CA-C-O 121.02 0.438 . . . . 0.0 111.027 -178.662 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.628 0 N-CA-C 111.742 -0.543 . . . . 0.0 111.742 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.6 t -94.43 136.01 35.21 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -177.204 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -119.33 148.95 42.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.006 0.432 . . . . 0.0 111.537 -174.379 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.6 p -153.6 155.66 36.53 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.029 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.595 HG22 HG12 ' A' ' 9' ' ' ILE . 46.0 t -111.48 134.53 53.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.394 0.14 . . . . 0.0 110.644 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.6 mt -77.16 96.93 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 174.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.561 ' HB ' ' HB3' ' A' ' 67' ' ' ALA . 29.9 m -96.53 -29.87 3.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.899 -173.083 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.555 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 16.9 t0 -140.9 128.5 21.44 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.123 0.487 . . . . 0.0 110.779 -175.382 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.8 mt -113.34 108.44 25.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.581 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.467 ' H ' HD12 ' A' ' 28' ' ' ILE . 4.0 mp -89.84 -59.81 2.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 -177.137 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.693 ' HB2' ' HB2' ' A' ' 32' ' ' PHE . 3.0 m-20 -107.81 -172.72 2.12 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.513 177.544 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -77.15 -32.64 56.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.922 0.391 . . . . 0.0 110.676 -176.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -112.38 -31.12 6.93 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.059 177.583 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.693 ' HB2' ' HB2' ' A' ' 29' ' ' ASP . 96.0 m-85 -80.57 103.78 10.65 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.987 0.423 . . . . 0.0 110.286 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.2 m -125.3 153.49 32.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.946 -176.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.555 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . 50.5 tp -98.08 116.17 29.74 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.202 178.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.529 ' O ' ' HB3' ' A' ' 46' ' ' ARG . 35.6 m -116.99 147.67 20.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.198 176.769 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.482 ' HA ' ' HB3' ' A' ' 46' ' ' ARG . 12.1 t -166.44 168.48 14.8 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -179.278 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -107.76 -165.54 21.61 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 174.205 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -74.63 153.12 43.51 Favored 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 122.772 2.314 . . . . 0.0 112.248 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.434 ' O ' ' HB3' ' A' ' 40' ' ' ASP . 5.2 ttpm? -90.92 129.54 36.94 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.373 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.434 ' HB3' ' O ' ' A' ' 39' ' ' LYS . 25.1 t70 76.05 -54.19 0.61 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.535 -1.212 . . . . 0.0 110.686 -177.549 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 62.0 mt -69.07 117.17 11.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 172.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.451 HG22 HG23 ' A' ' 44' ' ' VAL . 26.2 m 72.87 -51.12 0.71 Allowed 'General case' 0 CA--C 1.536 0.413 0 O-C-N 123.725 0.641 . . . . 0.0 110.21 -173.134 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.92 56.1 2.98 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 121.258 -0.496 . . . . 0.0 112.947 173.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.451 HG23 HG22 ' A' ' 42' ' ' THR . 49.7 t -131.64 92.06 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.745 0.307 . . . . 0.0 110.934 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.412 ' HA ' ' OG1' ' A' ' 36' ' ' THR . 64.9 tttp -94.69 106.82 18.82 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 174.542 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.592 ' HE ' HG11 ' A' ' 49' ' ' VAL . 16.1 tpt180 -102.96 149.18 24.78 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.518 -175.382 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -87.59 176.86 7.25 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.656 178.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 48' ' ' ARG . 5.5 ptp180 -68.49 126.68 30.4 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 170.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.592 HG11 ' HE ' ' A' ' 46' ' ' ARG . 17.9 m -128.72 2.79 2.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 112.816 0.672 . . . . 0.0 112.816 -169.452 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.9 t30 69.22 150.93 0.08 Allowed 'General case' 0 CA--C 1.537 0.472 0 O-C-N 123.805 0.691 . . . . 0.0 110.816 -178.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.477 HD13 HD13 ' A' ' 4' ' ' ILE . 60.3 mt -77.43 85.32 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.327 0.584 . . . . 0.0 110.398 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.8 mt -105.21 -74.01 0.66 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.292 177.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -118.95 51.27 1.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.751 0.31 . . . . 0.0 110.876 -175.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.426 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 96.0 mt -128.24 126.86 41.74 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.486 -179.202 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -112.27 133.85 21.65 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.561 176.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -69.23 133.12 25.73 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.556 2.171 . . . . 0.0 111.524 175.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 62.7 p -97.75 -179.31 4.4 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.374 -177.046 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -64.69 -27.5 68.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.567 177.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.517 ' N ' ' HD2' ' A' ' 59' ' ' LYS . 3.7 mptp? -87.96 135.49 33.38 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.568 0.699 . . . . 0.0 111.072 -174.161 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -153.21 130.74 11.44 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.194 -177.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 31.1 pt -90.69 128.15 42.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 172.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -72.81 107.8 5.43 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.101 0.477 . . . . 0.0 109.862 -177.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.634 HD11 ' HG2' ' A' ' 71' ' ' GLU . 15.8 tt -149.6 169.65 2.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.843 -174.504 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -94.96 172.39 8.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.037 0.446 . . . . 0.0 111.54 -177.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.5 ' HA ' HG11 ' A' ' 6' ' ' VAL . 33.9 ttpt -75.34 126.22 30.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.304 -176.268 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.14 53.98 2.69 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.504 178.41 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.561 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . . . -71.12 150.85 45.05 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.267 0.556 . . . . 0.0 111.875 -175.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.5 ' O ' HG23 ' A' ' 72' ' ' VAL . 5.9 p -107.04 160.26 15.68 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.208 178.054 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -48.92 -52.2 25.94 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.473 0.483 . . . . 0.0 111.624 -176.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -62.3 -40.72 97.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.584 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.634 ' HG2' HD11 ' A' ' 63' ' ' ILE . 41.8 tt0 -66.25 -39.88 89.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.742 -178.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 68' ' ' SER . 88.3 t -61.52 -43.58 97.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.03 0.443 . . . . 0.0 110.084 176.318 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.434 ' HB3' ' HZ3' ' A' ' 73' ' ' LYS . 5.5 ttpm? -61.63 -37.07 82.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.365 178.578 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.416 ' O ' ' HB3' ' A' ' 77' ' ' GLU . 45.8 tttm -66.75 -46.7 74.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.905 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.435 ' HG2' ' HB ' ' A' ' 63' ' ' ILE . 5.5 mptp? -66.33 -29.21 69.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.053 178.538 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 44.0 tp -64.15 -35.27 80.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.709 174.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.416 ' HB3' ' O ' ' A' ' 74' ' ' LYS . 37.9 tt0 -70.35 -51.64 28.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.599 175.216 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -52.65 -40.59 62.97 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.735 -178.337 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.3 m -89.96 -16.24 30.31 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.244 -178.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.7 t30 47.06 68.03 0.7 Allowed 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.811 0.815 . . . . 0.0 109.782 -170.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.47 ' HG ' ' HB3' ' A' ' 84' ' ' TYR . 15.2 tp -115.13 18.66 16.15 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.113 -0.948 . . . . 0.0 110.037 -174.64 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.1 m -57.12 -53.29 59.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.899 -175.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.52 -32.02 73.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.78 -177.004 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.47 ' HB3' ' HG ' ' A' ' 81' ' ' LEU . 84.2 t80 -68.09 -28.6 67.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.144 -177.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 11.2 mmt -94.98 -15.31 23.64 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.697 0.284 . . . . 0.0 111.009 177.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -78.94 -43.16 25.22 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.556 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -77.02 151.22 35.67 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 120.859 0.361 . . . . 0.0 110.164 177.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt . . . . . 0 C--N 1.321 -0.641 0 CA-C-O 121.005 0.431 . . . . 0.0 110.784 -178.408 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.636 HD11 HG11 ' A' ' 33' ' ' VAL . 9.2 tp . . . . . 0 N--CA 1.469 0.481 0 CA-C-O 122.608 1.194 . . . . 0.0 111.433 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.52 ' HG3' ' HB2' ' A' ' 8' ' ' ARG . 15.5 pt-20 -126.36 164.23 21.54 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.435 -1.257 . . . . 0.0 109.924 -176.43 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.7 m -68.25 132.2 32.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.991 0.424 . . . . 0.0 110.662 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.13 9.99 83.29 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.79 177.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.655 ' HD2' ' HB2' ' A' ' 60' ' ' LYS . 5.9 tpt180 -88.75 126.66 35.44 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 177.547 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 mp -77.84 126.76 38.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 178.362 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.437 ' SG ' HD21 ' A' ' 54' ' ' LEU . 5.7 p -121.79 153.23 38.58 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.451 -178.756 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.2 p -120.78 150.84 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.698 -176.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.524 ' HG3' ' HB2' ' A' ' 20' ' ' SER . 31.1 mmmt -75.75 111.54 11.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.554 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.8 t . . . . . 0 C--N 1.325 -0.496 0 CA-C-O 121.866 0.841 . . . . 0.0 109.877 -178.221 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.339 0 N-CA-C 113.809 0.284 . . . . 0.0 113.809 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.524 ' HB2' ' HG3' ' A' ' 12' ' ' LYS . 17.7 m -103.15 114.14 28.19 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 175.544 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.456 ' N ' ' HD2' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -104.61 143.78 32.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.353 -177.092 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.487 ' SG ' HG11 ' A' ' 44' ' ' VAL . 72.8 m -138.54 156.2 47.72 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.893 177.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 62.1 t -106.21 127.86 61.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 177.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.572 ' HA ' HG12 ' A' ' 35' ' ' VAL . 60.9 mt -69.42 118.6 14.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 178.301 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.414 HG22 ' HB3' ' A' ' 67' ' ' ALA . 66.0 t -111.25 -49.71 6.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.469 -176.466 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.473 ' HA ' ' HE3' ' A' ' 65' ' ' LYS . 14.8 t70 -130.89 121.81 25.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.903 0.383 . . . . 0.0 111.571 -175.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.419 ' N ' HD12 ' A' ' 27' ' ' ILE . 3.4 mp -88.62 95.11 5.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 174.537 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.443 HD11 ' HB2' ' A' ' 34' ' ' LEU . 43.1 mt -72.36 -52.09 25.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.512 -177.288 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -138.36 177.38 7.92 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.581 -175.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -72.36 -25.37 61.5 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.715 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.465 ' O ' ' HA ' ' A' ' 50' ' ' ASN . 17.5 m120 -107.24 -43.27 4.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.943 -179.424 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -102.07 132.29 48.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.73 0.3 . . . . 0.0 111.403 -177.638 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.636 HG11 HD11 ' A' ' 4' ' ' ILE . 18.1 m -134.76 167.21 26.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.704 177.424 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.443 ' HB2' HD11 ' A' ' 28' ' ' ILE . 4.7 tt -111.39 116.06 30.32 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.224 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.572 HG12 ' HA ' ' A' ' 24' ' ' ILE . 28.9 m -117.41 139.75 43.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.438 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.423 ' HA ' ' HB3' ' A' ' 46' ' ' ARG . 23.7 m -111.17 122.4 47.77 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.193 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -99.24 158.42 19.99 Favored Glycine 0 N--CA 1.443 -0.9 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 177.285 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.477 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 24.1 Cg_exo -63.96 105.37 0.55 Allowed 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.346 2.031 . . . . 0.0 111.071 177.16 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -77.97 -33.57 51.4 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.345 0.593 . . . . 0.0 110.13 -174.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -83.45 -31.79 26.39 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.678 -179.523 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.584 HG13 ' HE3' ' A' ' 73' ' ' LYS . 64.6 mt -87.21 -75.14 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.929 0.395 . . . . 0.0 111.293 -179.211 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.448 ' H ' ' HB2' ' A' ' 38' ' ' PRO . 2.2 m -75.45 -42.74 52.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 -175.172 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.34 11.08 20.78 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 121.164 -0.541 . . . . 0.0 111.902 -177.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.487 HG11 ' SG ' ' A' ' 22' ' ' CYS . 22.1 t -90.97 148.31 4.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.711 0.291 . . . . 0.0 110.39 -178.627 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -117.42 154.32 31.57 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.473 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 7.6 ppt_? -71.72 126.69 30.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.041 0.448 . . . . 0.0 110.907 179.742 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 54.6 mtp85 -142.21 176.45 8.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.77 -175.288 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -98.36 109.55 22.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.638 177.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.2 p -127.78 156.33 39.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.226 -176.169 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.465 ' HA ' ' O ' ' A' ' 31' ' ' ASN . 10.5 p30 -91.92 143.97 25.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.854 0.359 . . . . 0.0 110.345 178.076 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.6 mt -68.16 -17.91 22.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.085 -177.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.4 tp -69.43 -10.26 57.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.561 -175.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -128.53 18.56 6.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.986 0.422 . . . . 0.0 110.6 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.437 HD21 ' SG ' ' A' ' 10' ' ' CYS . 39.0 tp -137.92 126.68 23.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.373 -176.214 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -115.37 123.93 30.85 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 120.888 0.375 . . . . 0.0 111.715 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.445 ' HB3' ' HG2' ' A' ' 8' ' ' ARG . 22.7 Cg_exo -66.01 127.69 18.19 Favored 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 123.0 2.467 . . . . 0.0 111.006 170.67 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 67.0 p -79.33 -174.21 4.07 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.347 0.594 . . . . 0.0 111.376 -175.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -72.38 -26.89 62.06 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.008 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -93.91 153.42 18.24 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.344 0.593 . . . . 0.0 111.821 -174.509 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.655 ' HB2' ' HD2' ' A' ' 8' ' ' ARG . 26.5 tttp -153.35 154.72 35.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.937 -175.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.604 ' N ' ' HG2' ' A' ' 60' ' ' LYS . 26.9 pt -116.12 132.73 64.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 171.513 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -87.48 102.46 14.59 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 -176.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.437 ' CG2' ' HG2' ' A' ' 75' ' ' LYS . 34.2 pt -136.15 -178.66 2.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.738 -174.07 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.58 169.1 10.59 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 172.385 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.473 ' HE3' ' HA ' ' A' ' 26' ' ' ASP . 87.6 tttt -77.81 106.21 9.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.123 0.487 . . . . 0.0 110.672 -179.24 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 146.27 63.34 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.414 ' HB3' HG22 ' A' ' 25' ' ' VAL . . . -97.59 140.02 32.63 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.953 0.406 . . . . 0.0 111.138 -175.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.475 ' O ' HG23 ' A' ' 72' ' ' VAL . 43.5 p -127.34 175.92 7.82 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.348 176.478 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.465 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 15.5 t70 -57.31 -39.49 75.9 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.425 0.631 . . . . 0.0 109.422 177.173 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -63.16 -51.03 68.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.954 178.298 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.429 ' HB3' ' H ' ' A' ' 68' ' ' SER . 8.3 tp10 -60.89 -42.43 97.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.563 -179.324 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 68' ' ' SER . 71.6 t -59.04 -44.87 92.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.292 176.803 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.584 ' HE3' HG13 ' A' ' 41' ' ' ILE . 1.5 mptm? -51.91 -48.92 63.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.177 0.513 . . . . 0.0 111.107 176.269 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.425 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 94.4 mttt -69.38 -40.03 77.65 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.73 -175.096 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.437 ' HG2' ' CG2' ' A' ' 63' ' ' ILE . 13.7 mptt -71.98 -32.21 67.02 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.829 0.347 . . . . 0.0 111.159 177.342 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.516 HD21 ' HG3' ' A' ' 85' ' ' MET . 5.2 mp -68.44 -30.07 68.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.12 173.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 74' ' ' LYS . 33.9 mm-40 -66.52 -36.27 82.29 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.677 173.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -70.6 -49.73 44.68 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.201 179.23 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.1 m -90.58 -10.96 41.49 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -173.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 61.01 26.87 16.79 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.058 0.456 . . . . 0.0 110.549 -177.035 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 33.0 tp -85.25 9.02 16.39 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.525 -176.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.1 m -61.0 -22.11 64.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.541 -178.392 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -68.13 -52.24 37.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.949 0.404 . . . . 0.0 110.754 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -62.22 -34.86 77.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.214 -177.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.516 ' HG3' HD21 ' A' ' 76' ' ' LEU . 98.2 mmm -77.16 -20.39 55.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.795 -175.302 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -99.37 -17.56 17.94 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.794 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -61.82 121.01 11.83 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.262 0.553 . . . . 0.0 110.387 178.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt . . . . . 0 C--N 1.32 -0.717 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.977 -172.752 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.419 ' N ' HD12 ' A' ' 4' ' ' ILE . 4.1 mp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.006 0.432 . . . . 0.0 110.06 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -117.99 153.06 34.29 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.238 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.2 m -60.6 129.61 23.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.511 0.672 . . . . 0.0 111.019 177.351 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.406 ' HA3' HG12 ' A' ' 63' ' ' ILE . . . 91.03 -2.11 78.78 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.734 179.502 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.5 ttt180 -91.52 119.45 31.48 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.955 0.407 . . . . 0.0 110.06 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 45.8 mt -68.54 126.66 28.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.905 -176.318 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.481 ' CB ' HD13 ' A' ' 54' ' ' LEU . 51.9 m -130.41 145.26 51.79 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.105 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.583 HG22 ' HG3' ' A' ' 12' ' ' LYS . 7.4 p -150.4 143.41 17.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -173.799 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.583 ' HG3' HG22 ' A' ' 11' ' ' VAL . 0.0 OUTLIER 48.83 173.3 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 116.223 1.935 . . . . 0.0 116.223 169.748 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.7 t . . . . . 0 N--CA 1.465 0.306 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.219 176.522 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.115 -0.394 . . . . 0.0 112.115 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.419 ' O ' HG23 ' A' ' 11' ' ' VAL . 11.9 p -111.52 150.53 29.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.684 0.278 . . . . 0.0 110.743 -177.215 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.419 ' HG2' ' HB ' ' A' ' 11' ' ' VAL . 44.1 mttp -92.27 145.44 24.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.291 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 63.9 m -140.99 153.0 45.38 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.059 177.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.8 t -122.42 122.34 65.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.556 -178.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.42 ' N ' HD12 ' A' ' 24' ' ' ILE . 3.6 mp -72.51 122.97 26.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 178.424 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.454 ' HB ' HG22 ' A' ' 36' ' ' THR . 14.9 p -106.0 -28.89 2.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.63 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -150.36 133.67 16.35 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.937 0.398 . . . . 0.0 110.562 178.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 69.0 mt -95.7 108.9 21.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.125 -179.457 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.1 mt -97.32 -71.4 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.346 -179.313 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.639 ' HB2' ' H ' ' A' ' 32' ' ' PHE . 12.0 m-20 -115.36 171.49 7.67 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 178.284 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -79.91 -14.27 58.75 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.654 0.74 . . . . 0.0 109.067 170.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.772 ' O ' ' HA ' ' A' ' 50' ' ' ASN . 17.2 m120 -94.34 -40.82 9.75 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.828 178.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.639 ' H ' ' HB2' ' A' ' 29' ' ' ASP . 98.3 m-85 -139.03 122.18 16.91 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 120.609 0.242 . . . . 0.0 111.095 -177.164 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.7 m -118.04 171.61 6.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 174.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.2 tp -95.37 115.35 27.3 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 177.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.432 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 27.3 m -114.42 148.93 16.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.64 179.086 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.454 HG22 ' HB ' ' A' ' 25' ' ' VAL . 12.8 t -139.74 146.85 40.05 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.028 0.442 . . . . 0.0 110.427 -179.169 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.42 147.73 17.18 Favored Glycine 0 N--CA 1.439 -1.11 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 175.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.719 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 45.6 Cg_exo -56.04 110.6 0.59 Allowed 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 122.338 2.025 . . . . 0.0 111.416 178.504 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -66.15 -28.11 68.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.216 -176.365 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -83.89 -25.42 30.22 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.024 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.719 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 65.8 mt -98.94 -63.48 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.538 -175.338 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.0 p -92.97 -39.23 11.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.71 0.291 . . . . 0.0 111.05 -177.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.19 63.32 3.67 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.334 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.3 p -108.15 146.89 13.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 120.86 0.362 . . . . 0.0 110.426 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.401 ' HE3' ' HB2' ' A' ' 45' ' ' LYS . 34.6 ttmt -72.71 114.12 10.5 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.759 178.488 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' A' ' 35' ' ' VAL . 46.1 ttp180 -79.98 108.48 13.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.711 -172.457 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -144.4 178.09 8.18 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -95.44 109.71 21.86 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 178.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.1 t -127.37 56.03 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 121.017 0.436 . . . . 0.0 111.632 -168.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.772 ' HA ' ' O ' ' A' ' 31' ' ' ASN . 3.7 m-20 64.67 -175.97 0.17 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.762 -0.653 . . . . 0.0 112.386 175.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 47.1 mt -116.96 -49.71 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.815 174.306 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 25.6 tp -80.05 34.69 0.3 Allowed 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.603 0.716 . . . . 0.0 110.759 -176.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 -106.98 5.24 27.98 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.446 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.481 HD13 ' CB ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER -154.5 166.33 33.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.836 179.749 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -109.44 136.83 20.19 Favored Pre-proline 0 C--N 1.332 -0.187 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.634 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -74.44 137.57 23.27 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.684 2.256 . . . . 0.0 112.405 178.195 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 30.9 p -82.5 170.95 14.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.671 178.43 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -85.74 -47.28 9.91 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 121.108 -0.237 . . . . 0.0 110.904 -178.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -88.15 144.61 26.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.085 0.469 . . . . 0.0 110.42 178.431 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -131.34 158.49 40.57 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.733 -170.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.3 pt -112.68 106.15 20.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 167.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -80.18 107.84 13.3 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.162 0.506 . . . . 0.0 110.99 -172.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.406 HG12 ' HA3' ' A' ' 7' ' ' GLY . 34.3 pt -113.82 -173.65 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.857 177.642 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -93.83 161.97 14.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.878 0.37 . . . . 0.0 110.589 177.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -79.76 125.51 29.77 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.28 -176.363 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.79 50.4 3.33 Favored Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -174.314 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.429 ' HB1' ' HB3' ' A' ' 71' ' ' GLU . . . -101.52 -178.57 3.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.977 0.418 . . . . 0.0 111.25 -176.669 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.6 p -147.18 -169.11 3.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.683 -176.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -57.08 -42.54 80.87 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.373 0.421 . . . . 0.0 110.195 -179.025 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.539 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 1.6 mp0 -56.2 -52.56 63.98 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.519 179.695 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.429 ' HB3' ' HB1' ' A' ' 67' ' ' ALA . 3.7 tp10 -64.45 -45.95 85.25 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.944 -178.496 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.499 ' O ' ' HB2' ' A' ' 76' ' ' LEU . 99.6 t -60.78 -41.01 86.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.288 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.8 ttpt -66.75 -38.97 87.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.846 -178.128 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.539 ' HG2' ' O ' ' A' ' 70' ' ' GLU . 33.3 mmtp -58.27 -54.55 45.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.908 0.385 . . . . 0.0 110.547 177.39 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.406 ' HG2' HG22 ' A' ' 63' ' ' ILE . 14.3 mptt -65.39 -39.68 92.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.069 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.499 ' HB2' ' O ' ' A' ' 72' ' ' VAL . 10.4 tp -65.43 -36.42 83.88 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.608 -177.802 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -70.36 -44.16 68.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.098 0.475 . . . . 0.0 109.948 177.103 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -60.0 -42.64 94.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.704 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.3 t -86.43 -9.66 55.83 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.279 -178.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 58.46 36.95 25.66 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.728 0.775 . . . . 0.0 110.13 -178.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.43 ' HB3' HD12 ' A' ' 76' ' ' LEU . 23.0 tp -104.05 14.59 30.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.425 -174.626 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.44 ' HA ' ' CD2' ' A' ' 76' ' ' LEU . 6.6 m -56.95 -37.63 71.82 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.965 -176.731 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -61.63 -35.26 77.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.992 -177.257 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -61.82 -29.98 70.52 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.207 -177.007 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 14.5 mmt -72.9 -38.95 66.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.16 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -86.72 37.4 0.75 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.179 0.514 . . . . 0.0 110.421 -174.392 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -130.41 136.91 49.54 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.898 177.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.9 pttp . . . . . 0 C--N 1.319 -0.755 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.497 -178.854 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.43 ' N ' HD12 ' A' ' 4' ' ' ILE . 3.5 mp . . . . . 0 C--O 1.234 0.286 0 CA-C-O 121.806 0.812 . . . . 0.0 109.655 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -120.95 144.39 48.5 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.113 -172.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.4 m -58.7 125.97 15.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.095 176.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.451 ' O ' HG12 ' A' ' 61' ' ' ILE . . . 118.7 -20.07 10.22 Favored Glycine 0 N--CA 1.44 -1.036 0 C-N-CA 120.238 -0.982 . . . . 0.0 112.728 -178.248 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.508 ' HB2' ' HB3' ' A' ' 60' ' ' LYS . 62.3 ttt180 -90.85 139.01 31.15 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 119.889 -0.724 . . . . 0.0 110.398 178.101 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 45.0 mt -77.54 145.97 9.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.032 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.1 p -133.39 148.02 51.8 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 174.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.557 HG13 HG13 ' A' ' 13' ' ' VAL . 15.0 p -107.5 143.97 17.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.154 0.502 . . . . 0.0 111.289 -177.698 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -85.1 80.91 9.08 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.557 HG13 HG13 ' A' ' 11' ' ' VAL . 13.0 m . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 115.461 -0.79 . . . . 0.0 112.302 -174.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.378 0 N-CA-C 111.783 -0.527 . . . . 0.0 111.783 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.6 m -79.75 125.0 29.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.886 0.374 . . . . 0.0 110.249 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -117.81 155.07 30.71 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.152 -177.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 75.3 m -140.58 152.97 45.91 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.854 176.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.3 t -106.95 135.5 45.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.188 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.503 ' HA ' HG12 ' A' ' 35' ' ' VAL . 53.2 mt -70.66 108.78 2.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 176.416 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.1 m -105.16 -25.12 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.722 -175.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -158.64 152.51 23.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.869 0.366 . . . . 0.0 110.713 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.403 HG23 HG12 ' A' ' 33' ' ' VAL . 63.9 mt -110.29 115.31 49.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 177.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 47.0 mm -86.07 -49.64 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.17 -175.315 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.482 ' CG ' ' H ' ' A' ' 30' ' ' ASP . 13.8 t70 -136.66 -162.85 1.33 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -175.223 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.482 ' H ' ' CG ' ' A' ' 29' ' ' ASP . 11.8 t70 -81.36 -45.24 16.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.712 0.768 . . . . 0.0 109.05 178.052 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.424 ' OD1' ' HB2' ' A' ' 50' ' ' ASN . 31.2 t30 -93.74 -32.31 14.06 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.576 -178.528 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.473 ' HA ' ' HA ' ' A' ' 50' ' ' ASN . 22.8 m-85 -100.39 136.65 39.95 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.577 -176.274 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.403 HG12 HG23 ' A' ' 27' ' ' ILE . 21.6 m -133.01 168.5 24.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.208 178.66 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 46.0 tp -111.91 115.48 29.04 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.247 0.546 . . . . 0.0 109.942 178.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.503 HG12 ' HA ' ' A' ' 24' ' ' ILE . 27.5 m -125.19 149.83 30.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.033 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.8 t -152.18 146.65 25.63 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.492 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -102.51 112.61 4.34 Favored Glycine 0 N--CA 1.444 -0.816 0 N-CA-C 110.231 -1.148 . . . . 0.0 110.231 174.072 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.404 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 48.2 Cg_exo -29.85 114.88 0.05 OUTLIER 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 124.475 3.45 . . . . 0.0 113.337 -174.284 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.565 ' HA ' ' HA2' ' A' ' 43' ' ' GLY . 85.2 tttt -66.91 -34.28 77.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.459 -171.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.589 ' HB3' ' HE2' ' A' ' 73' ' ' LYS . 31.9 t70 -73.09 -21.16 60.81 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.945 -178.619 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.404 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 59.5 mt -106.01 -70.1 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.877 -177.742 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -86.87 -40.68 14.65 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.965 -176.52 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.565 ' HA2' ' HA ' ' A' ' 39' ' ' LYS . . . 84.64 35.17 14.12 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.981 177.258 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.1 t -90.03 122.89 41.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.782 0.325 . . . . 0.0 110.724 -177.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -73.74 112.04 9.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.804 177.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -71.97 149.94 44.55 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.057 -175.406 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 47' ' ' ARG . 17.2 mtp180 -139.8 160.66 39.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.666 176.314 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -83.95 108.01 16.67 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 177.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 30.6 m -126.27 178.55 4.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.056 0.455 . . . . 0.0 111.624 -173.431 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.473 ' HA ' ' HA ' ' A' ' 32' ' ' PHE . 29.6 p-10 -116.14 168.51 10.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.9 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.3 mm -65.26 -29.97 48.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.215 -176.218 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.0 mp -76.98 30.45 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 -171.364 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -144.48 5.74 1.24 Allowed 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 178.424 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.8 pp -151.82 162.72 40.58 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -176.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.426 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 11.7 pt-20 -138.54 148.13 57.7 Favored Pre-proline 0 N--CA 1.451 -0.42 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.018 175.397 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 55' ' ' GLU . 14.2 Cg_exo -69.4 146.94 64.02 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.97 2.446 . . . . 0.0 112.77 -179.017 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.3 p -130.68 143.98 51.12 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.461 -179.031 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.462 ' CG ' ' H ' ' A' ' 59' ' ' LYS . 6.3 t70 55.9 -151.74 0.39 Allowed 'General case' 0 CA--C 1.536 0.417 0 O-C-N 124.054 0.846 . . . . 0.0 111.692 173.202 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.462 ' H ' ' CG ' ' A' ' 58' ' ' ASP . 29.5 mtmm -94.18 166.87 11.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.668 -174.771 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.508 ' HB3' ' HB2' ' A' ' 8' ' ' ARG . 3.4 ptmm? -103.66 154.39 19.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.983 0.421 . . . . 0.0 111.213 178.024 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.451 HG12 ' O ' ' A' ' 7' ' ' GLY . 29.8 pt -96.51 152.32 3.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 169.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -85.15 94.01 8.78 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.167 0.508 . . . . 0.0 111.703 -176.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.536 ' CG2' ' HG3' ' A' ' 75' ' ' LYS . 30.6 pt -134.58 173.47 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.486 174.261 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -121.97 172.36 8.27 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.582 178.471 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.403 ' HE2' ' H ' ' A' ' 27' ' ' ILE . 60.7 tttm -56.77 123.42 14.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.181 -174.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.94 47.27 1.27 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.33 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -96.07 132.63 41.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.689 -0.301 . . . . 0.0 111.049 -179.228 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.6 m -93.08 171.63 8.82 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.842 179.241 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -54.21 -50.6 66.74 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 122.726 0.41 . . . . 0.0 111.132 178.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -57.99 -44.85 87.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.804 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.585 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 5.0 tp10 -58.51 -55.81 30.19 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.638 179.062 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 96.3 t -59.84 -39.3 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-O 121.119 0.485 . . . . 0.0 110.634 -179.266 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.589 ' HE2' ' HB3' ' A' ' 40' ' ' ASP . 33.6 ttmt -56.94 -48.78 77.51 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.955 178.471 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.488 ' O ' ' HB3' ' A' ' 77' ' ' GLU . 9.1 tmtm? -72.65 -36.37 67.96 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.626 -176.442 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.585 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 74.9 mmtt -65.64 -45.7 82.01 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.803 0.335 . . . . 0.0 110.602 177.178 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 39.0 tp -63.09 -30.36 71.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.228 0.537 . . . . 0.0 110.05 177.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.488 ' HB3' ' O ' ' A' ' 74' ' ' LYS . 45.2 tt0 -63.7 -48.14 78.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.354 176.377 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -61.01 -49.38 77.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.205 178.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.4 m -66.71 -27.34 67.55 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 120.832 0.349 . . . . 0.0 110.888 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 65.65 52.9 1.26 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.784 178.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -117.37 22.64 12.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.888 176.29 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.3 m -54.93 -39.59 68.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.801 -177.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -59.52 -43.86 93.32 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.309 -178.015 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -65.12 -34.21 77.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.022 -177.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.71 -51.56 8.54 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.881 -176.472 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -66.31 -41.38 89.8 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.421 -175.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -71.4 128.07 34.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.444 0.64 . . . . 0.0 109.79 179.27 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt . . . . . 0 C--N 1.317 -0.81 0 CA-C-O 121.523 0.677 . . . . 0.0 110.647 -177.915 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.6 mm . . . . . 0 C--O 1.234 0.28 0 CA-C-O 121.525 0.678 . . . . 0.0 111.808 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.535 ' OE2' ' HD2' ' A' ' 8' ' ' ARG . 0.6 OUTLIER -139.46 177.4 7.96 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.012 176.083 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.444 ' HB ' HD12 ' A' ' 63' ' ' ILE . 6.2 m -72.41 121.91 23.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.32 0.581 . . . . 0.0 111.348 -178.426 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.03 4.14 48.13 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.365 -179.248 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.535 ' HD2' ' OE2' ' A' ' 5' ' ' GLU . 39.6 ttt85 -83.61 121.77 27.69 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.825 0.345 . . . . 0.0 110.738 -179.409 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.777 HG13 HG22 ' A' ' 23' ' ' VAL . 3.1 mp -81.22 133.08 30.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 175.176 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.4 m -126.21 145.08 50.53 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.896 178.088 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.0 p -102.68 149.83 6.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.043 0.449 . . . . 0.0 110.189 -179.242 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -76.83 132.75 39.36 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.423 -179.104 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.4 t . . . . . 0 C--N 1.326 -0.449 0 CA-C-O 122.082 0.944 . . . . 0.0 109.37 178.24 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.6 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.3 m -129.02 106.48 8.91 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.004 0.431 . . . . 0.0 110.788 -178.182 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -103.27 144.31 31.52 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.479 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 61.8 m -139.77 152.79 46.88 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.659 0.266 . . . . 0.0 110.58 -178.053 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.777 HG22 HG13 ' A' ' 9' ' ' ILE . 45.4 t -112.35 132.45 61.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.53 -177.661 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 63.8 mt -78.89 109.82 13.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 175.262 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.2 t -101.87 -27.59 3.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.738 -178.635 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.415 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 18.2 t0 -138.78 129.98 26.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.148 0.499 . . . . 0.0 111.022 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 57.2 mt -99.56 97.98 6.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.452 -0.795 . . . . 0.0 108.884 175.102 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.4 HD11 ' HB2' ' A' ' 34' ' ' LEU . 24.9 mt -74.92 -57.6 6.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.62 -175.782 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -118.34 -177.31 3.26 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.073 176.646 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -76.7 -40.21 49.5 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.166 0.507 . . . . 0.0 110.105 178.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -95.19 -14.62 23.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.228 -179.119 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.611 ' CE2' ' HB3' ' A' ' 48' ' ' ARG . 3.2 t80 -123.91 123.37 40.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.437 -171.691 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.4 m -125.23 169.76 16.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.989 0.423 . . . . 0.0 111.361 -176.27 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.415 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . 51.3 tp -111.88 116.25 30.34 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.605 177.75 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 31.5 m -112.86 149.13 15.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.35 0.595 . . . . 0.0 110.996 -178.271 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.6 t -166.67 -177.19 3.81 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.328 -0.851 . . . . 0.0 108.761 177.146 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.96 167.74 30.0 Favored Glycine 0 N--CA 1.441 -1.003 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.682 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 22.8 Cg_exo -63.84 125.33 15.16 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.223 1.949 . . . . 0.0 110.63 175.056 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.486 ' N ' ' HD2' ' A' ' 39' ' ' LYS . 11.5 mptt -77.55 -25.51 50.15 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.216 0.531 . . . . 0.0 110.037 -176.737 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -83.3 -16.49 46.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.703 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.682 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 64.5 mt -108.34 -51.51 7.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.683 -178.588 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.5 m -112.56 -48.66 3.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.713 0.292 . . . . 0.0 111.109 -174.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.425 ' HA2' ' HA ' ' A' ' 39' ' ' LYS . . . 101.21 22.86 10.15 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.767 -179.578 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.445 ' O ' ' HE3' ' A' ' 39' ' ' LYS . 52.8 t -86.41 123.42 39.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.842 0.353 . . . . 0.0 110.395 178.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -79.95 179.37 7.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.678 -178.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 46' ' ' ARG . 34.4 ttm180 -89.64 126.06 35.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.74 179.175 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 47' ' ' ARG . 14.0 ptm180 -149.38 152.46 35.8 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.246 175.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.611 ' HB3' ' CE2' ' A' ' 32' ' ' PHE . 72.0 mtm180 -90.77 144.43 25.73 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 177.053 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.0 p -152.6 156.96 5.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.894 0.378 . . . . 0.0 110.53 -179.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.43 ' HB2' HD13 ' A' ' 52' ' ' LEU . 31.5 p30 -90.59 161.5 15.4 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.823 176.748 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.9 pt -83.59 5.67 2.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.011 0.434 . . . . 0.0 111.247 179.221 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.43 HD13 ' HB2' ' A' ' 50' ' ' ASN . 8.0 mp -85.47 -10.65 55.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.488 -174.102 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 24.0 t60 -131.81 30.76 4.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.07 0.462 . . . . 0.0 110.631 -178.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.7 mt -129.38 140.75 51.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.042 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -120.4 141.14 31.4 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.116 173.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.431 ' HB3' ' HE ' ' A' ' 8' ' ' ARG . 96.3 Cg_endo -79.43 141.16 15.7 Favored 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 122.589 2.193 . . . . 0.0 112.774 -177.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.6 p -81.68 172.83 12.95 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.403 175.242 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -66.86 -35.4 79.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.039 0.447 . . . . 0.0 110.956 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -120.64 145.42 47.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.562 -173.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.657 ' HA ' HD13 ' A' ' 9' ' ' ILE . 1.0 OUTLIER -141.92 -177.05 5.02 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.246 174.062 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 38.1 pt -122.78 175.58 5.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -124.2 110.72 15.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.668 0.27 . . . . 0.0 110.6 -176.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.444 HD12 ' HB ' ' A' ' 6' ' ' VAL . 2.4 pp -137.92 -179.79 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.486 177.732 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.62 155.39 18.89 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 175.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -59.5 136.32 57.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.047 0.451 . . . . 0.0 110.799 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.56 30.66 12.95 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.05 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.05 141.28 40.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.758 0.313 . . . . 0.0 110.729 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.8 p -84.71 172.18 11.73 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.642 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.434 ' OD2' ' HA ' ' A' ' 38' ' ' PRO . 14.6 t70 -57.05 -36.54 70.63 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.528 0.68 . . . . 0.0 109.543 175.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.553 ' O ' ' HG3' ' A' ' 74' ' ' LYS . 0.8 OUTLIER -75.11 -39.23 60.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.405 -178.649 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -65.49 -46.51 79.44 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.85 0.357 . . . . 0.0 110.505 178.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 86.2 t -61.98 -38.51 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 175.618 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.658 ' HG3' HD11 ' A' ' 41' ' ' ILE . 34.3 ttmt -60.12 -43.87 95.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.965 177.587 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.553 ' HG3' ' O ' ' A' ' 70' ' ' GLU . 67.6 mttm -56.24 -58.27 8.68 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-O 120.983 0.421 . . . . 0.0 110.565 177.378 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.1 mmtt -66.26 -37.37 85.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.455 -176.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.4 HD23 HD13 ' A' ' 41' ' ' ILE . 25.2 tp -62.18 -41.66 98.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.066 0.46 . . . . 0.0 109.778 178.642 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.62 -47.28 67.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.847 177.321 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -56.41 -48.9 76.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.986 -178.25 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.0 m -77.06 -6.03 51.14 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.841 0.311 . . . . 0.0 111.841 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 69.35 27.36 5.07 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 122.759 0.424 . . . . 0.0 111.548 177.239 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 81' ' ' LEU . 3.2 mm? -96.29 0.82 51.37 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.458 -178.747 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.8 m -57.6 -46.03 84.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.579 -177.428 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -62.33 -49.83 74.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.186 0.517 . . . . 0.0 110.424 -177.058 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -68.51 -28.25 66.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.414 -177.597 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.47 -44.52 51.15 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -70.24 -26.56 63.9 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.103 -178.545 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -58.59 121.59 11.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.076 -179.219 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.768 ' HD3' ' H ' ' A' ' 88' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.295 -178.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.9 mm . . . . . 0 C--O 1.232 0.147 0 CA-C-O 121.605 0.717 . . . . 0.0 109.177 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -147.88 142.59 26.66 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.448 -0.797 . . . . 0.0 109.886 -171.35 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.575 HG11 ' HG3' ' A' ' 65' ' ' LYS . 26.0 m -60.08 139.43 19.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.242 0.544 . . . . 0.0 110.717 -179.698 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.38 -22.69 39.42 Favored Glycine 0 N--CA 1.443 -0.881 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.276 -178.143 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -87.17 137.96 31.9 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.422 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.543 HG12 HG22 ' A' ' 23' ' ' VAL . 45.8 mt -75.71 145.09 11.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.09 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 72.9 m -136.91 155.6 49.55 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 176.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.2 p -133.03 151.64 34.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.832 -175.318 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.536 ' HD3' ' HB3' ' A' ' 20' ' ' SER . 12.1 mptt -64.39 125.88 26.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.323 176.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.3 t . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.641 -178.994 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.405 ' HA2' ' O ' ' A' ' 88' ' ' LYS . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 113.993 0.357 . . . . 0.0 113.993 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.536 ' HB3' ' HD3' ' A' ' 12' ' ' LYS . 21.0 t -148.26 92.06 1.98 Allowed 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.505 0.669 . . . . 0.0 109.675 173.508 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt -103.13 142.34 34.31 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.737 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 73.0 m -148.65 154.69 40.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.255 -178.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.543 HG22 HG12 ' A' ' 9' ' ' ILE . 47.5 t -104.03 140.58 21.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 178.626 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 56.1 mt -71.14 96.93 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 173.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.428 ' HB ' ' O ' ' A' ' 67' ' ' ALA . 32.8 m -87.26 -28.48 5.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.277 -174.475 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -163.4 152.68 14.7 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.409 -176.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.435 HG23 HG12 ' A' ' 33' ' ' VAL . 60.0 mt -103.98 117.74 50.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.024 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.571 HD11 HD12 ' A' ' 34' ' ' LEU . 49.7 mm -82.89 -58.94 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.21 0.528 . . . . 0.0 111.022 -176.756 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.508 ' CG ' ' H ' ' A' ' 30' ' ' ASP . 22.0 t70 -119.32 -165.25 1.13 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.153 -0.931 . . . . 0.0 108.848 -175.59 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.508 ' H ' ' CG ' ' A' ' 29' ' ' ASP . 21.0 t70 -89.26 -26.78 21.0 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-O 121.606 0.717 . . . . 0.0 109.298 176.68 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -105.85 -25.2 12.25 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.135 -0.938 . . . . 0.0 110.551 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.47 ' H ' ' HB3' ' A' ' 29' ' ' ASP . 95.9 m-85 -114.04 136.71 52.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.84 -174.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.435 HG12 HG23 ' A' ' 27' ' ' ILE . 26.8 m -121.71 170.99 11.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.431 176.614 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.571 HD12 HD11 ' A' ' 28' ' ' ILE . 4.9 tt -109.2 116.46 31.96 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.44 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.4 m -122.3 136.01 60.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.251 178.464 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.3 t -150.97 174.73 12.8 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.973 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -133.63 141.09 12.39 Favored Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo -47.71 133.98 21.97 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 123.715 2.943 . . . . 0.0 112.527 -176.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -56.82 -58.56 7.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.481 -171.628 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -72.45 -16.18 61.82 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.724 -172.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.441 HD13 HG23 ' A' ' 82' ' ' THR . 68.7 mt -98.53 -52.93 8.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.971 0.415 . . . . 0.0 111.081 -175.603 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.2 m -115.26 -59.34 2.02 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.519 -178.29 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.03 67.27 1.48 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.748 178.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.5 t -120.73 110.28 27.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 122.72 -0.282 . . . . 0.0 110.799 179.136 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -66.74 136.95 56.27 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 177.096 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.405 ' HG3' HD21 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -85.07 149.55 25.48 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.234 0.54 . . . . 0.0 112.44 -168.368 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 53.5 mtm180 -143.84 161.73 37.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.02 -0.991 . . . . 0.0 108.753 170.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 67.7 mtt85 -68.82 110.54 4.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.799 0.333 . . . . 0.0 111.157 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 56.5 t -113.78 138.97 41.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.141 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.8 p30 -88.35 158.26 18.47 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.053 0.454 . . . . 0.0 110.992 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 30.1 pt -83.74 10.38 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.999 -176.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -95.32 -32.45 12.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.904 0.383 . . . . 0.0 110.82 -179.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -107.79 21.65 17.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.087 0.47 . . . . 0.0 110.398 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 46.2 tp -132.32 127.93 36.62 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.034 -178.033 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.445 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 44.9 mt-10 -116.82 140.94 27.49 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 178.007 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 55' ' ' GLU . 3.7 Cg_exo -78.81 144.15 19.08 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 123.029 2.486 . . . . 0.0 113.05 -174.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.0 m -83.73 164.31 19.68 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.24 175.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -65.29 -29.35 70.1 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -175.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -88.33 146.94 25.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.142 0.496 . . . . 0.0 112.14 -173.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 67.0 tttt -147.27 131.74 17.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.186 177.437 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.2 pt -98.52 112.45 30.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 171.537 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -77.65 101.52 6.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.015 0.436 . . . . 0.0 110.765 -174.013 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 12.5 pt -134.7 -177.37 2.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.373 -178.16 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -75.11 154.84 37.62 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.718 177.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.575 ' HG3' HG11 ' A' ' 6' ' ' VAL . 28.9 ttpp -69.37 130.2 41.89 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 178.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.21 54.12 0.81 Allowed Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 110.619 -0.993 . . . . 0.0 110.619 -173.117 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.428 ' O ' ' HB ' ' A' ' 25' ' ' VAL . . . -76.92 113.29 14.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.04 0.448 . . . . 0.0 111.28 -176.338 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.9 m -86.76 166.44 15.25 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.415 177.593 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 10.0 t70 -52.35 -38.44 58.7 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.193 0.52 . . . . 0.0 110.35 176.564 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.552 ' HG2' ' HE3' ' A' ' 74' ' ' LYS . 22.5 tt0 -59.85 -53.03 62.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.665 177.631 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.0 tp10 -62.75 -47.49 83.3 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.786 -175.118 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 71.5 t -62.0 -38.56 81.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.452 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 69' ' ' ASP . 30.3 ttmt -64.64 -44.45 90.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.691 -177.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.552 ' HE3' ' HG2' ' A' ' 70' ' ' GLU . 99.6 mttt -60.25 -56.83 16.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.846 179.133 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.6 -29.47 65.88 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.298 -172.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.45 HD21 ' HG3' ' A' ' 85' ' ' MET . 46.7 tp -68.54 -37.42 79.96 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.104 176.249 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.74 -43.77 95.49 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 177.644 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -62.31 -36.72 83.01 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.278 177.509 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.8 t -73.59 -23.58 59.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.267 -177.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 70.49 14.64 7.32 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 123.579 0.549 . . . . 0.0 111.393 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -95.64 17.39 14.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.119 0.485 . . . . 0.0 110.655 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.441 HG23 HD13 ' A' ' 41' ' ' ILE . 1.8 m -56.93 -43.99 82.03 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.411 -178.293 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -60.03 -38.02 81.49 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.76 -177.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -60.69 -27.43 67.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.439 -178.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.45 ' HG3' HD21 ' A' ' 76' ' ' LEU . 21.9 mmt -71.8 -45.02 62.92 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.324 -178.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -86.63 -28.96 22.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.612 0.244 . . . . 0.0 111.304 -174.319 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -70.6 135.93 48.82 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 176.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.405 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 63.1 mttp . . . . . 0 C--O 1.235 0.337 0 O-C-N 123.734 0.646 . . . . 0.0 110.996 -173.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.49 HG23 HD13 ' A' ' 24' ' ' ILE . 86.0 mt . . . . . 0 CA--C 1.532 0.284 0 CA-C-O 121.501 0.667 . . . . 0.0 110.583 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -143.59 157.08 44.69 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.219 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.51 HG11 ' HG3' ' A' ' 65' ' ' LYS . 21.4 m -61.85 139.94 19.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.208 0.527 . . . . 0.0 111.55 -179.054 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.494 ' HA3' ' O ' ' A' ' 61' ' ' ILE . . . 88.5 -8.16 79.75 Favored Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.759 178.635 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.9 ttt180 -94.27 133.82 37.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.899 0.381 . . . . 0.0 110.145 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.709 HG13 HG22 ' A' ' 23' ' ' VAL . 4.0 mp -80.97 132.47 31.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.191 -178.513 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.8 p -118.75 154.59 32.55 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.728 176.367 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.0 p -110.89 144.0 19.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 120.881 0.372 . . . . 0.0 110.714 -178.402 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -72.72 102.22 3.28 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 177.121 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--N 1.325 -0.461 0 CA-C-O 122.764 1.268 . . . . 0.0 110.234 -175.628 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 N-CA-C 111.811 -0.516 . . . . 0.0 111.811 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.9 m -116.57 98.96 6.83 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.968 0.413 . . . . 0.0 110.319 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -95.9 128.71 43.02 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.179 174.462 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 34.1 m -127.78 143.02 51.15 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.054 0.454 . . . . 0.0 110.199 -179.091 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.709 HG22 HG13 ' A' ' 9' ' ' ILE . 47.1 t -97.71 133.31 40.09 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.922 -178.37 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.49 HD13 HG23 ' A' ' 4' ' ' ILE . 57.2 mt -73.37 99.78 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 175.087 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 62.1 t -83.65 -46.56 18.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.043 -173.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.586 ' HB2' ' HA2' ' A' ' 66' ' ' GLY . 33.2 t70 -141.97 126.2 17.51 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 -178.048 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 67.4 mt -85.7 109.82 18.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.269 175.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 40.7 mt -96.34 -59.92 2.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.315 0.578 . . . . 0.0 110.408 -176.533 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.536 ' HB3' ' HB2' ' A' ' 32' ' ' PHE . 16.9 t70 -110.24 -163.38 0.85 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.273 -0.876 . . . . 0.0 108.866 -178.686 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.485 ' H ' ' CG ' ' A' ' 29' ' ' ASP . 17.6 t70 -93.77 -33.96 13.38 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 177.479 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.584 ' O ' ' HA ' ' A' ' 50' ' ' ASN . 58.7 t30 -114.91 1.35 14.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.468 -179.615 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.536 ' HB2' ' HB3' ' A' ' 29' ' ' ASP . 62.1 m-85 -129.48 121.31 27.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.84 178.6 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.593 HG23 HG13 ' A' ' 35' ' ' VAL . 33.9 m -132.04 169.04 22.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 176.512 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.6 tt -94.56 115.62 27.8 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 176.174 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.593 HG13 HG23 ' A' ' 33' ' ' VAL . 16.0 m -124.7 143.54 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.583 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.0 t -172.09 -175.19 1.41 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.527 177.02 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.414 ' H ' ' HB ' ' A' ' 44' ' ' VAL . . . -135.7 138.85 10.26 Favored Glycine 0 N--CA 1.442 -0.921 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 178.315 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.616 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 90.8 Cg_exo -43.39 132.74 6.92 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 123.467 2.778 . . . . 0.0 112.898 -176.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.406 ' H ' ' HG3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -77.14 -8.71 57.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.046 -0.525 . . . . 0.0 112.035 -171.791 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.623 ' HB2' ' HE2' ' A' ' 73' ' ' LYS . 40.2 m-20 -103.13 -4.45 24.44 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.975 173.461 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.616 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 66.1 mt -121.74 -63.18 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 121.016 -0.273 . . . . 0.0 111.697 -175.142 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -97.33 -51.24 4.24 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.883 0.373 . . . . 0.0 111.136 -173.783 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.76 52.82 4.23 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.385 -178.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.414 ' HB ' ' H ' ' A' ' 37' ' ' GLY . 58.1 t -95.2 146.92 6.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 122.662 -0.317 . . . . 0.0 110.227 -179.524 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.503 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -81.91 138.4 35.02 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.008 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -80.88 116.6 20.94 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.143 -0.48 . . . . 0.0 112.026 -173.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 47' ' ' ARG . 8.7 mtt180 -148.48 150.1 32.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.037 172.187 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 71.5 mtm180 -105.78 122.07 45.34 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 175.162 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 20.6 m -130.99 176.74 8.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.232 -176.097 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.584 ' HA ' ' O ' ' A' ' 31' ' ' ASN . 23.4 m-80 -77.55 127.99 33.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.31 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.465 HG13 ' HA ' ' A' ' 31' ' ' ASN . 2.8 pp -72.24 -2.95 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -174.178 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.21 -21.1 66.45 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -177.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.9 m80 -116.7 22.42 12.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.02 0.438 . . . . 0.0 110.959 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 54' ' ' LEU . 3.6 mm? -118.01 126.44 52.32 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 173.479 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.415 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 42.4 mt-10 -120.21 134.51 24.08 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 55' ' ' GLU . 5.9 Cg_exo -73.61 155.22 49.87 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.847 2.365 . . . . 0.0 112.911 -175.663 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.512 ' HB ' ' OH ' ' A' ' 84' ' ' TYR . 28.4 p -93.63 -170.87 2.46 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.831 177.753 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -61.35 -56.03 25.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.08 0.467 . . . . 0.0 112.116 -176.124 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -113.19 165.78 12.08 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.344 0.592 . . . . 0.0 112.359 -166.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -141.01 156.56 46.01 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.231 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.586 HD11 HG13 ' A' ' 72' ' ' VAL . 22.3 pt -106.57 122.41 60.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 169.487 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -78.98 101.2 7.65 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.121 0.486 . . . . 0.0 110.955 -172.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.9 pt -120.3 -178.13 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.633 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -85.56 149.29 25.46 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.886 177.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.51 ' HG3' HG11 ' A' ' 6' ' ' VAL . 23.4 ttpp -66.49 110.13 3.03 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.586 ' HA2' ' HB2' ' A' ' 26' ' ' ASP . . . 94.89 44.79 3.26 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.989 -178.117 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.7 174.75 10.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.073 0.463 . . . . 0.0 111.294 -179.11 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.8 m -106.51 167.51 9.79 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.338 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -51.49 -46.31 63.14 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.42 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -61.1 -42.1 97.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.545 -175.259 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -67.03 -48.68 67.6 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.86 0.362 . . . . 0.0 110.524 -178.515 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.586 HG13 HD11 ' A' ' 61' ' ' ILE . 84.2 t -57.82 -47.16 86.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.372 0.606 . . . . 0.0 110.245 178.005 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.623 ' HE2' ' HB2' ' A' ' 40' ' ' ASP . 27.3 ttmt -57.21 -49.27 76.53 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.115 178.793 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 30.2 tttm -65.68 -43.03 90.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.464 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.543 ' HA ' ' HE3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -59.85 -39.98 87.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.793 179.859 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 50.1 mt -60.6 -50.71 72.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.674 176.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -61.51 -50.8 71.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.855 178.28 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -58.95 -37.61 77.14 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.634 -1.166 . . . . 0.0 111.82 -174.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.6 m -93.48 -1.73 55.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.379 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 63.82 27.49 14.58 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.471 -178.552 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 81' ' ' LEU . 3.4 mm? -89.15 12.88 14.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.023 0.44 . . . . 0.0 110.502 178.164 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.3 m -59.55 -41.62 90.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.123 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -60.78 -51.03 71.07 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 120.913 0.387 . . . . 0.0 110.973 -178.325 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.512 ' OH ' ' HB ' ' A' ' 57' ' ' THR . 41.1 t80 -65.33 -20.77 66.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.669 -174.76 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.39 -45.93 5.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.66 0.267 . . . . 0.0 110.937 -177.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -63.99 -33.12 75.0 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.088 0.47 . . . . 0.0 110.704 -178.268 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -63.73 136.46 57.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.098 178.07 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.5 pttm . . . . . 0 C--N 1.324 -0.54 0 CA-C-O 120.724 0.297 . . . . 0.0 110.427 178.92 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.45 ' N ' HD12 ' A' ' 4' ' ' ILE . 4.1 mp . . . . . 0 N--CA 1.455 -0.188 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.444 ' HB2' ' HB2' ' A' ' 8' ' ' ARG . 58.3 mm-40 -133.58 155.36 49.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.558 -175.362 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.9 m -76.28 125.28 35.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 174.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.69 3.67 64.23 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.929 -175.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.547 ' HD2' ' O ' ' A' ' 57' ' ' THR . 5.7 tpp180 -88.89 127.34 35.64 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.955 0.407 . . . . 0.0 110.446 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.2 mt -76.87 129.12 37.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.521 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.657 ' HA ' ' HA ' ' A' ' 56' ' ' PRO . 44.7 m -114.84 142.55 46.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.254 178.441 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.9 p -128.53 148.53 32.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.364 0.602 . . . . 0.0 110.933 -177.118 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.63 ' HB3' ' HB2' ' A' ' 20' ' ' SER . 22.3 tptm -92.85 121.64 34.42 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.507 -179.519 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.8 m . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.296 179.601 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.065 -0.414 . . . . 0.0 112.065 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.63 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 15.8 m -115.46 108.72 16.85 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 175.642 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.418 ' HE2' ' O ' ' A' ' 84' ' ' TYR . 46.8 mttp -125.72 143.22 51.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.958 179.233 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.424 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 77.4 m -148.99 155.92 41.51 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.602 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.417 HG21 HD11 ' A' ' 61' ' ' ILE . 9.4 p -117.25 134.96 59.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 120.656 0.265 . . . . 0.0 110.54 178.753 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 65.3 mt -73.64 109.66 6.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.339 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 63.1 t -88.66 -53.56 9.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.153 -178.282 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -138.96 140.3 38.22 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.362 -176.378 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.476 HG23 HG12 ' A' ' 33' ' ' VAL . 56.4 mt -106.17 110.62 32.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 120.925 0.393 . . . . 0.0 109.953 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.443 HD11 ' HB2' ' A' ' 34' ' ' LEU . 4.5 mp -94.98 -65.91 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.09 -178.415 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.787 ' HB2' ' HB2' ' A' ' 32' ' ' PHE . 5.7 m-20 -94.92 -176.64 3.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.746 179.419 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -71.11 -41.76 70.15 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.94 -176.534 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -112.91 -25.44 9.01 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.816 0.341 . . . . 0.0 110.816 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.787 ' HB2' ' HB2' ' A' ' 29' ' ' ASP . 65.7 m-85 -84.05 105.11 14.66 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.213 0.53 . . . . 0.0 111.285 178.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.476 HG12 HG23 ' A' ' 27' ' ' ILE . 31.6 m -111.32 161.75 9.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.372 178.476 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.443 ' HB2' HD11 ' A' ' 28' ' ' ILE . 6.3 tt -98.05 116.79 30.99 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 177.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.424 ' HB ' ' HB3' ' A' ' 22' ' ' CYS . 35.4 m -118.17 160.75 17.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.255 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.6 t -145.23 148.43 33.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.983 0.42 . . . . 0.0 110.392 177.37 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -107.4 102.11 1.77 Allowed Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 109.925 -1.27 . . . . 0.0 109.925 171.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.675 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 56.8 Cg_exo -36.45 123.97 0.35 Allowed 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 124.455 3.437 . . . . 0.0 113.971 -171.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.3 tptt -54.22 -47.92 71.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.463 -0.789 . . . . 0.0 112.435 -173.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -86.93 -0.43 56.53 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -174.323 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.675 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 4.6 mp -122.08 -69.52 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.272 -175.189 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.8 m -84.53 -37.16 21.6 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.872 0.368 . . . . 0.0 110.56 -177.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.4 44.78 57.74 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.941 176.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.402 ' HB ' ' H ' ' A' ' 45' ' ' LYS . 27.9 t -104.4 -95.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 O-C-N 122.701 -0.294 . . . . 0.0 110.261 178.639 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.413 ' HG3' ' H ' ' A' ' 46' ' ' ARG . 13.7 tptm 174.8 179.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 -178.777 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.413 ' H ' ' HG3' ' A' ' 45' ' ' LYS . 22.9 ptt180 -118.34 145.82 44.83 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 176.536 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -172.47 172.36 4.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 123.211 0.319 . . . . 0.0 110.326 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.0 mtm180 -94.17 142.9 26.88 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 172.398 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.1 p -150.56 145.92 16.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 120.956 0.408 . . . . 0.0 110.543 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -86.86 109.05 19.04 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.363 0.601 . . . . 0.0 110.029 175.127 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.5 pt -78.21 82.27 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.627 0.727 . . . . 0.0 110.696 -178.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 44.6 tp -106.85 -31.96 8.14 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.227 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 46.3 m-70 -122.14 21.95 10.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.992 0.425 . . . . 0.0 111.019 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.2 mp -117.45 135.27 54.02 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.255 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.486 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 44.0 mt-10 -117.13 121.08 32.89 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-O 120.967 0.413 . . . . 0.0 111.16 -176.713 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.657 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 17.5 Cg_exo -68.61 151.59 74.99 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 123.374 2.716 . . . . 0.0 112.988 176.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.547 ' O ' ' HD2' ' A' ' 8' ' ' ARG . 37.5 p -85.41 178.12 7.55 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.602 177.016 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -85.56 -17.76 35.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.797 0.332 . . . . 0.0 110.594 178.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -85.23 144.97 27.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.073 0.463 . . . . 0.0 110.467 175.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.98 157.48 44.51 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.999 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.443 HG13 HG12 ' A' ' 63' ' ' ILE . 26.2 pt -96.46 143.22 12.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 172.379 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -86.09 46.57 1.34 Allowed 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.132 0.492 . . . . 0.0 111.688 -168.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.465 HD12 ' HB3' ' A' ' 67' ' ' ALA . 48.0 pt -89.74 -172.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.372 177.029 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -122.37 178.25 5.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.798 0.333 . . . . 0.0 111.066 -179.162 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -69.6 108.81 4.0 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.416 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.34 44.71 3.42 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.142 -178.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.465 ' HB3' HD12 ' A' ' 63' ' ' ILE . . . -93.58 125.97 38.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.68 0.276 . . . . 0.0 110.363 177.388 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.9 p -67.41 166.8 13.83 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.722 -176.47 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.433 ' OD2' ' HA ' ' A' ' 38' ' ' PRO . 10.3 t70 -59.69 -30.66 68.93 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.3 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -58.24 -47.49 83.38 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.368 176.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -68.07 -42.71 80.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.473 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.402 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 57.8 t -61.64 -46.76 95.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.506 178.664 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -56.87 -49.09 76.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.848 177.535 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.92 -51.25 70.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.444 178.47 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.467 ' HD2' ' HA ' ' A' ' 75' ' ' LYS . 32.5 tptt -64.71 -36.76 85.31 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.307 -175.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.411 HD11 ' HG2' ' A' ' 38' ' ' PRO . 32.7 mt -60.57 -40.49 91.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.349 . . . . 0.0 110.762 177.071 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -72.61 -50.89 22.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.926 176.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -59.69 -50.36 74.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.336 -175.133 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.1 m -84.03 -5.77 59.29 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.979 -175.449 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 65.41 48.53 2.06 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.043 0.449 . . . . 0.0 111.249 177.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -122.51 17.41 10.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.713 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.5 t -77.15 -39.21 49.99 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -172.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -55.84 -47.03 77.96 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.738 -176.405 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.418 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 65.8 t80 -61.53 -31.93 71.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.432 -176.283 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.8 mmt -77.71 -20.81 52.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.73 0.3 . . . . 0.0 111.595 -178.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -100.12 -33.91 10.27 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.139 -174.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -71.97 123.4 22.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.854 0.359 . . . . 0.0 111.356 -178.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.332 -0.195 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.888 173.664 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.429 HG23 HD13 ' A' ' 24' ' ' ILE . 47.0 mm . . . . . 0 C--O 1.233 0.201 0 CA-C-O 121.655 0.74 . . . . 0.0 109.024 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -119.61 150.13 40.81 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.466 -172.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.42 HG11 ' HG2' ' A' ' 65' ' ' LYS . 16.4 m -69.49 115.98 9.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.523 0.678 . . . . 0.0 110.139 175.468 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.49 13.33 41.73 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.393 -0.908 . . . . 0.0 112.671 -178.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -105.88 120.03 40.7 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 174.11 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.4 mt -69.01 137.0 25.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.55 -174.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 23.3 m -134.16 124.72 26.53 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.382 0.61 . . . . 0.0 110.282 176.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.4 p -88.61 151.84 3.44 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.94 -175.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.587 ' HE2' ' N ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -83.96 104.22 13.85 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.755 -179.405 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.3 p . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 121.154 0.502 . . . . 0.0 110.394 178.268 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.396 0 N-CA-C 111.427 -0.669 . . . . 0.0 111.427 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.437 ' HB2' ' HD2' ' A' ' 12' ' ' LYS . 1.3 p -71.39 100.23 2.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.339 0.59 . . . . 0.0 110.836 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -107.59 141.72 38.62 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.595 -177.41 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.467 ' SG ' ' HE3' ' A' ' 12' ' ' LYS . 73.4 m -148.95 156.74 42.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.021 178.158 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.4 p -119.69 143.5 31.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.333 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.429 HD13 HG23 ' A' ' 4' ' ' ILE . 65.3 mt -78.98 118.77 26.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 176.484 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.8 m -107.86 -28.64 2.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.914 -177.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -153.79 142.81 21.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.873 0.368 . . . . 0.0 110.736 -178.086 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.491 HG23 HG12 ' A' ' 33' ' ' VAL . 48.6 mt -102.5 109.13 25.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 178.115 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.551 HG13 ' HD3' ' A' ' 48' ' ' ARG . 40.6 mm -78.4 -64.29 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.105 0.479 . . . . 0.0 110.909 -176.71 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.438 ' HB3' ' H ' ' A' ' 32' ' ' PHE . 8.3 t70 -108.11 -159.41 0.69 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 -177.383 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -80.75 -32.71 35.51 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.43 0.633 . . . . 0.0 109.354 176.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -114.86 -37.32 4.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.755 178.282 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.438 ' H ' ' HB3' ' A' ' 29' ' ' ASP . 55.1 m-85 -72.24 104.59 3.73 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-O 121.097 0.475 . . . . 0.0 111.308 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.491 HG12 HG23 ' A' ' 27' ' ' ILE . 28.2 m -108.03 154.05 9.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.17 176.408 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.49 HD11 ' HD2' ' A' ' 46' ' ' ARG . 1.8 tm? -96.42 115.79 28.0 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 29.6 m -122.71 147.0 27.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.241 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.532 ' HB ' ' HB3' ' A' ' 46' ' ' ARG . 9.1 t -149.35 153.9 38.13 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.727 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.518 ' HA3' ' HB ' ' A' ' 44' ' ' VAL . . . -104.68 111.28 3.75 Favored Glycine 0 N--CA 1.441 -1.009 0 N-CA-C 110.441 -1.063 . . . . 0.0 110.441 172.815 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.924 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 74.7 Cg_exo -24.23 114.62 0.03 OUTLIER 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 125.263 3.976 . . . . 0.0 114.605 -173.694 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -48.14 -54.23 14.02 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 114.827 -1.079 . . . . 0.0 112.25 -173.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -102.38 28.35 6.01 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.508 0.67 . . . . 0.0 111.168 -175.118 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.924 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 69.1 mt -121.92 -53.9 3.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 172.664 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.663 HG23 ' H ' ' A' ' 43' ' ' GLY . 1.8 t -115.54 -67.89 0.96 Allowed 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 172.054 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.663 ' H ' HG23 ' A' ' 42' ' ' THR . . . 118.69 63.92 0.29 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.527 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.518 ' HB ' ' HA3' ' A' ' 37' ' ' GLY . 60.8 t -121.18 111.01 29.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 179.516 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -52.14 130.92 31.54 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.167 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.532 ' HB3' ' HB ' ' A' ' 36' ' ' THR . 27.3 ptt180 -71.84 134.11 45.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.186 -176.733 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 46.4 mtm180 -141.42 170.49 15.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.608 178.754 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.551 ' HD3' HG13 ' A' ' 28' ' ' ILE . 43.0 mtm180 -102.18 131.28 48.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.5 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 32' ' ' PHE . 7.1 p -129.65 142.03 44.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.975 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -88.45 31.0 0.84 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.637 -175.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 64.6 mt 59.1 91.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.547 0.689 . . . . 0.0 110.888 -175.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.1 tt -173.61 -42.11 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.279 -176.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -89.52 13.07 14.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.492 -177.32 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -153.63 154.01 33.38 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.703 0.287 . . . . 0.0 111.357 -176.541 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -127.94 141.51 41.42 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.086 173.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -59.76 129.06 29.08 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.57 2.18 . . . . 0.0 111.47 175.087 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.3 m -98.96 163.18 12.7 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 -174.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -56.45 -32.85 65.32 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.118 -0.946 . . . . 0.0 112.724 -176.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.509 ' N ' ' HD2' ' A' ' 59' ' ' LYS . 3.6 mptp? -93.28 135.84 34.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.301 0.572 . . . . 0.0 111.798 -172.229 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.766 ' HE2' ' HB2' ' A' ' 62' ' ' ASP . 81.9 tttt -139.61 125.55 19.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.874 178.341 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.436 HG21 HD23 ' A' ' 76' ' ' LEU . 12.7 pt -92.92 -31.05 4.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.767 0.318 . . . . 0.0 110.648 177.418 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.766 ' HB2' ' HE2' ' A' ' 60' ' ' LYS . 33.2 t70 64.52 112.98 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.854 -1.066 . . . . 0.0 111.592 178.276 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.789 HG22 ' HG2' ' A' ' 75' ' ' LYS . 22.5 pt -128.47 -179.32 2.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.985 -176.162 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -92.07 168.77 11.14 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.668 174.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' A' ' 66' ' ' GLY . 0.1 OUTLIER -85.62 132.44 34.17 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.477 ' N ' ' HD2' ' A' ' 65' ' ' LYS . . . 114.38 36.64 1.3 Allowed Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 -173.323 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.452 ' HB2' HD12 ' A' ' 63' ' ' ILE . . . -87.16 145.83 26.26 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.421 0.629 . . . . 0.0 112.181 -171.496 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.466 ' H ' ' HB3' ' A' ' 71' ' ' GLU . 57.8 p -126.81 -174.04 3.04 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.427 175.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -63.59 -25.44 68.23 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.315 0.578 . . . . 0.0 109.682 174.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -71.33 -52.9 16.23 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.404 176.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.466 ' HB3' ' H ' ' A' ' 68' ' ' SER . 5.1 tp10 -58.94 -47.98 83.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.697 -177.669 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.448 HG11 ' HG3' ' A' ' 38' ' ' PRO . 64.5 t -60.49 -43.51 94.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.767 0.318 . . . . 0.0 110.553 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -68.71 -37.77 79.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.108 0.48 . . . . 0.0 110.066 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -56.7 -53.8 53.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.754 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.789 ' HG2' HG22 ' A' ' 63' ' ' ILE . 14.1 mptt -65.83 -39.51 90.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.439 -179.17 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.436 HD23 HG21 ' A' ' 61' ' ' ILE . 69.4 mt -64.19 -42.74 96.52 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.63 0.253 . . . . 0.0 110.752 177.48 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -64.44 -47.28 79.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.62 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -57.93 -35.77 71.55 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.945 -179.251 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.5 t -94.1 -1.39 54.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.171 -179.263 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.5 t30 55.96 37.53 28.96 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.37 0.605 . . . . 0.0 110.128 -177.009 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.5 3.37 21.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.021 -176.067 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.5 m -59.14 -31.48 69.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.085 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 87' ' ' GLU . 32.2 tt0 -54.47 -51.02 66.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.366 -179.191 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -63.32 -32.45 73.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.593 -175.318 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 13.5 tpt -76.2 -26.72 56.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.132 0.492 . . . . 0.0 110.308 -178.192 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -98.6 -0.65 42.67 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.78 -178.596 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -87.96 162.34 16.92 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.728 -174.559 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt . . . . . 0 N--CA 1.455 -0.195 0 C-N-CA 123.801 0.84 . . . . 0.0 110.883 -176.777 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.8 mm . . . . . 0 CA--C 1.527 0.082 0 CA-C-O 121.401 0.62 . . . . 0.0 110.106 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -152.13 169.51 22.24 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 -178.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.557 HG11 ' HA ' ' A' ' 65' ' ' LYS . 34.3 m -54.77 145.59 4.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.475 0.655 . . . . 0.0 112.163 -176.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.444 ' HA2' HG12 ' A' ' 63' ' ' ILE . . . 99.63 -23.2 37.11 Favored Glycine 0 N--CA 1.443 -0.856 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.915 175.686 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -100.37 138.88 36.84 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 117.414 0.607 . . . . 0.0 110.091 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.471 HG13 HG22 ' A' ' 23' ' ' VAL . 4.1 mp -86.42 142.32 13.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.243 -177.461 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 56' ' ' PRO . 7.5 p -126.61 144.88 50.76 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.99 0.424 . . . . 0.0 110.147 176.524 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -116.76 138.53 47.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.434 0.635 . . . . 0.0 110.775 -179.042 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -72.26 138.53 47.52 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.452 -179.546 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.8 m . . . . . 0 C--N 1.325 -0.474 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.847 -179.685 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.647 0 N-CA-C 112.063 -0.415 . . . . 0.0 112.063 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.506 ' HB3' HG13 ' A' ' 44' ' ' VAL . 37.9 m -86.46 96.84 10.18 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.096 0.474 . . . . 0.0 110.834 -177.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm -81.54 128.76 34.25 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.186 176.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.461 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 18.2 m -116.72 148.24 41.27 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.811 0.339 . . . . 0.0 110.734 -175.096 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.471 HG22 HG13 ' A' ' 9' ' ' ILE . 47.7 t -106.19 130.0 58.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.168 177.48 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.444 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 46.2 mt -73.53 117.31 17.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 176.778 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.401 ' CG1' HG21 ' A' ' 72' ' ' VAL . 35.9 m -119.36 -22.01 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -175.79 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.536 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 27.0 t70 -155.41 139.08 16.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.821 0.343 . . . . 0.0 111.302 -176.733 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.3 mp -116.45 112.29 38.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.843 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.435 ' N ' HD12 ' A' ' 28' ' ' ILE . 4.0 mp -85.73 -57.63 4.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.715 -175.724 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.49 ' CG ' ' H ' ' A' ' 30' ' ' ASP . 11.7 t70 -128.97 -161.35 1.1 Allowed 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 -176.252 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.49 ' H ' ' CG ' ' A' ' 29' ' ' ASP . 38.5 t70 -83.28 -28.49 29.08 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.284 0.564 . . . . 0.0 110.009 -178.576 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.473 ' O ' ' HA ' ' A' ' 50' ' ' ASN . 81.6 m-20 -108.51 -31.55 7.75 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.421 176.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -92.24 120.4 32.77 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.049 -172.155 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.24 164.56 34.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.019 -178.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.536 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . 62.0 tp -117.01 116.93 28.32 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.06 0.457 . . . . 0.0 110.286 178.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.461 ' HB ' ' HB3' ' A' ' 22' ' ' CYS . 22.7 m -121.1 146.41 26.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.681 176.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.1 t -138.64 143.93 39.46 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.133 0.492 . . . . 0.0 110.795 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.517 ' HA3' ' HB ' ' A' ' 44' ' ' VAL . . . -113.11 103.8 1.45 Allowed Glycine 0 N--CA 1.442 -0.951 0 N-CA-C 110.134 -1.186 . . . . 0.0 110.134 172.258 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -26.44 112.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 125.26 3.973 . . . . 0.0 114.256 -171.105 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.499 ' HA ' ' HA2' ' A' ' 43' ' ' GLY . 15.5 ptpt -66.28 -23.33 66.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.815 -177.107 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -77.3 -29.27 53.62 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.781 -179.365 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.404 HD13 HG23 ' A' ' 82' ' ' THR . 59.9 mt -105.82 -74.79 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.395 -177.338 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.8 m -83.37 -46.15 12.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.522 -173.039 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.499 ' HA2' ' HA ' ' A' ' 39' ' ' LYS . . . 80.51 58.66 2.67 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.356 -0.926 . . . . 0.0 111.787 -177.789 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.517 ' HB ' ' HA3' ' A' ' 37' ' ' GLY . 90.6 t -91.53 138.19 20.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 179.554 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -62.61 97.59 0.1 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.158 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.428 HH12 ' HB2' ' A' ' 69' ' ' ASP . 10.0 ptm180 -84.1 144.55 28.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.489 -176.002 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.418 HH11 HG12 ' A' ' 49' ' ' VAL . 45.1 ttt-85 -172.54 151.33 2.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.46 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.42 ' HG3' HD13 ' A' ' 34' ' ' LEU . 97.9 mtt180 -72.04 116.75 12.82 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 171.137 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.418 HG12 HH11 ' A' ' 47' ' ' ARG . 31.5 m -128.47 -178.97 2.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 120.89 0.376 . . . . 0.0 111.173 -174.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.473 ' HA ' ' O ' ' A' ' 31' ' ' ASN . 21.4 p-10 -105.56 145.46 30.92 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.243 177.643 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.9 tt -76.99 87.29 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.968 0.89 . . . . 0.0 109.891 177.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.3 tp -118.78 -57.73 2.02 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.571 -178.373 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -124.29 62.93 1.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.306 0.574 . . . . 0.0 111.482 -174.616 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.1 pp -150.17 147.44 27.73 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.04 173.717 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -126.12 142.3 42.17 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-O 120.888 0.375 . . . . 0.0 110.007 176.004 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.451 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 73.8 Cg_endo -75.58 145.81 29.94 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.739 2.293 . . . . 0.0 113.228 -175.373 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.3 m -86.81 160.08 18.89 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.557 177.493 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -62.12 -44.25 97.06 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -175.138 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.418 ' N ' ' HD2' ' A' ' 59' ' ' LYS . 2.6 mptp? -76.39 155.82 33.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.252 0.549 . . . . 0.0 111.632 -170.14 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.485 ' HE2' ' HA ' ' A' ' 62' ' ' ASP . 85.9 tttt -137.91 126.98 24.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.479 178.038 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.4 pt -79.34 -20.87 12.48 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.309 0 CA-C-O 121.342 0.592 . . . . 0.0 110.555 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.485 ' HA ' ' HE2' ' A' ' 60' ' ' LYS . 21.5 t70 66.36 97.79 0.05 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 113.995 -1.457 . . . . 0.0 112.223 175.794 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.685 HG22 ' HG3' ' A' ' 75' ' ' LYS . 37.0 pt -129.51 170.93 17.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 114.745 -1.116 . . . . 0.0 108.431 174.38 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -91.77 154.99 18.57 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.231 0.539 . . . . 0.0 110.57 179.149 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.557 ' HA ' HG11 ' A' ' 6' ' ' VAL . 20.7 ttpt -71.28 103.3 2.8 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.975 -172.331 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.38 48.02 0.62 Allowed Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.498 -176.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -95.4 -173.96 3.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.882 0.373 . . . . 0.0 111.161 -176.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.495 ' O ' HG23 ' A' ' 72' ' ' VAL . 6.7 m -115.65 153.98 30.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.227 -179.456 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.428 ' HB2' HH12 ' A' ' 46' ' ' ARG . 14.8 t70 -59.55 -43.17 93.63 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.302 0.572 . . . . 0.0 109.941 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -53.25 -51.16 63.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.793 174.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -63.52 -38.71 92.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.588 -1.187 . . . . 0.0 111.073 -176.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 68' ' ' SER . 87.3 t -62.02 -41.54 91.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.564 177.317 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt -64.43 -38.96 92.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.836 178.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.427 ' O ' ' HG3' ' A' ' 78' ' ' GLU . 93.4 mttt -67.08 -36.89 82.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.845 177.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.685 ' HG3' HG22 ' A' ' 63' ' ' ILE . 60.0 mmtt -64.15 -31.15 72.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.77 0.319 . . . . 0.0 111.102 174.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 92.9 mt -68.86 -38.78 79.96 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 173.569 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -64.86 -47.86 76.37 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.248 177.041 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 66.5 mt-10 -61.4 -34.5 75.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.392 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.0 t -88.76 -3.7 58.7 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.065 179.225 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 59.17 30.79 20.63 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.508 0.671 . . . . 0.0 110.55 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.4 tp -94.9 12.74 27.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.52 -174.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.404 HG23 HD13 ' A' ' 41' ' ' ILE . 15.9 m -55.77 -47.92 76.2 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.175 -176.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -62.55 -48.73 78.22 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 121.236 0.541 . . . . 0.0 111.025 -177.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -63.56 -22.83 67.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.205 -176.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.88 -24.93 35.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.742 0.306 . . . . 0.0 110.619 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -71.01 -35.85 72.21 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-O 121.047 0.451 . . . . 0.0 110.812 178.229 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -61.76 127.31 30.81 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.505 -0.77 . . . . 0.0 112.072 -174.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt . . . . . 0 C--N 1.321 -0.661 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.216 -178.154 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.3 mp . . . . . 0 N--CA 1.463 0.21 0 CA-C-O 121.646 0.736 . . . . 0.0 110.505 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.414 ' HG2' ' HB2' ' A' ' 8' ' ' ARG . 14.4 pt-20 -144.1 170.41 16.0 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.833 -178.281 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.9 m -80.48 114.18 21.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.574 0.702 . . . . 0.0 110.003 175.084 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.19 7.96 32.0 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.28 -177.015 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.414 ' HB2' ' HG2' ' A' ' 5' ' ' GLU . 13.4 tpt180 -84.19 103.01 13.04 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 177.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.538 HG12 HG22 ' A' ' 23' ' ' VAL . 55.4 mt -71.27 117.82 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.287 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.441 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . 44.6 m -115.75 142.51 46.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.736 -176.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.7 p -90.41 149.35 4.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.411 -178.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.492 ' HB2' ' O ' ' A' ' 20' ' ' SER . 1.9 tppp? -84.97 54.46 3.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.57 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 115.604 -0.726 . . . . 0.0 112.031 -172.912 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.469 ' CA ' ' HB2' ' A' ' 88' ' ' LYS . . . . . . . . 0 N--CA 1.445 -0.734 0 N-CA-C 112.696 -0.162 . . . . 0.0 112.696 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.492 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 3.4 p -76.66 90.4 3.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.429 0.633 . . . . 0.0 111.2 -179.107 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -80.08 149.09 30.77 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.123 179.073 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.453 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 57.9 m -133.06 147.32 52.19 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.0 0.429 . . . . 0.0 109.945 -179.49 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.538 HG22 HG12 ' A' ' 9' ' ' ILE . 46.7 t -110.01 129.5 64.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.639 -179.016 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.575 ' HA ' HG12 ' A' ' 35' ' ' VAL . 57.6 mt -68.46 103.44 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 174.442 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.439 HG21 HG22 ' A' ' 36' ' ' THR . 92.4 t -104.16 -34.8 3.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.346 -173.772 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.516 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 3.7 t70 -142.79 165.3 27.77 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.886 0.374 . . . . 0.0 110.257 -178.391 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.2 mm -124.36 110.86 26.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.109 -174.487 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.455 HG21 ' NH2' ' A' ' 48' ' ' ARG . 43.7 mm -80.72 -59.03 3.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 177.773 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.523 ' OD2' ' HB2' ' A' ' 32' ' ' PHE . 3.7 p30 -137.99 -167.24 2.11 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 170.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -82.32 -11.57 58.52 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.786 0.327 . . . . 0.0 111.775 -171.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -115.76 -49.06 2.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.934 0.397 . . . . 0.0 110.399 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.523 ' HB2' ' OD2' ' A' ' 29' ' ' ASP . 36.2 m-85 -88.3 113.06 23.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.947 176.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.0 m -108.94 164.23 5.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 -178.473 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.516 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . 52.5 tp -103.17 114.5 28.84 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.793 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.575 HG12 ' HA ' ' A' ' 24' ' ' ILE . 27.0 m -120.0 147.73 23.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.334 178.295 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.439 HG22 HG21 ' A' ' 25' ' ' VAL . 9.0 t -140.95 140.3 34.4 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.147 0.499 . . . . 0.0 110.821 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.553 ' HA3' ' HB ' ' A' ' 44' ' ' VAL . . . -101.56 110.75 3.92 Favored Glycine 0 N--CA 1.439 -1.106 0 N-CA-C 110.071 -1.212 . . . . 0.0 110.071 171.791 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.649 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 61.3 Cg_exo -37.29 123.08 0.44 Allowed 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 123.956 3.104 . . . . 0.0 113.042 -175.703 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.645 ' HA ' ' HA2' ' A' ' 43' ' ' GLY . 21.8 ptmt -58.44 -26.67 63.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.438 -171.727 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -89.99 -44.46 9.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.213 0.53 . . . . 0.0 110.598 178.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.649 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 72.2 mt -70.87 -53.38 22.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.721 -173.79 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.0 p -124.19 -38.06 2.49 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.894 0.378 . . . . 0.0 111.644 -177.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.645 ' HA2' ' HA ' ' A' ' 39' ' ' LYS . . . 77.36 40.84 22.58 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.897 177.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.553 ' HB ' ' HA3' ' A' ' 37' ' ' GLY . 23.3 t -90.34 -23.12 6.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.004 0.431 . . . . 0.0 110.345 179.754 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 36' ' ' THR . 56.5 mttp 69.35 -178.66 0.22 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.982 -179.45 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 46' ' ' ARG . 8.6 ptp85 -98.17 144.68 27.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.906 -177.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -173.5 166.09 4.65 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.034 176.284 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.455 ' NH2' HG21 ' A' ' 28' ' ' ILE . 60.6 mtt180 -82.23 118.96 23.5 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 176.645 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 45.2 t -123.44 -5.58 7.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.635 0.731 . . . . 0.0 110.044 -178.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.0 m120 59.32 178.09 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.629 -1.169 . . . . 0.0 111.306 -176.4 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.1 pt -96.6 15.48 2.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.322 0.582 . . . . 0.0 110.423 175.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.8 mp -95.31 -9.09 34.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.325 -176.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -122.2 5.97 9.72 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.683 178.089 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.441 ' HB3' ' CB ' ' A' ' 10' ' ' CYS . 92.8 mt -120.24 132.85 55.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.192 0.52 . . . . 0.0 111.061 -175.023 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -122.7 118.76 28.36 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 175.725 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -66.03 134.16 35.96 Favored 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.588 2.192 . . . . 0.0 112.512 -178.376 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 81.6 p -88.24 -171.03 3.2 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.892 0.377 . . . . 0.0 110.492 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -88.19 -3.86 58.81 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.487 177.162 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.556 ' HB3' HD21 ' A' ' 81' ' ' LEU . 14.0 mptt -103.01 140.15 37.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.648 174.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.42 ' HE2' ' HB2' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -147.86 156.94 43.25 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.112 179.712 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.666 HG21 HD12 ' A' ' 76' ' ' LEU . 32.4 pt -116.68 172.15 4.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.691 0.282 . . . . 0.0 110.734 177.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -117.5 95.15 4.82 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.545 -176.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.6 pt -132.4 170.73 19.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.781 0.324 . . . . 0.0 110.989 -179.425 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.401 ' HG2' ' N ' ' A' ' 65' ' ' LYS . 48.0 tt0 -97.41 160.13 14.51 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.138 178.602 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.401 ' N ' ' HG2' ' A' ' 64' ' ' GLN . 53.6 tttm -65.94 105.1 1.24 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.058 176.008 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 107.25 61.91 0.57 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.154 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.439 ' H ' ' CG1' ' A' ' 25' ' ' VAL . . . -114.5 154.87 27.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.72 0.295 . . . . 0.0 110.827 179.612 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 32.4 m -105.15 -178.43 3.65 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.412 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -52.18 -51.99 54.74 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.865 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -60.91 -37.58 82.76 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -178.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -69.02 -47.64 64.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.907 0.384 . . . . 0.0 110.048 -178.103 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 94.8 t -61.86 -45.63 98.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.052 176.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.44 ' HB2' ' HE3' ' A' ' 73' ' ' LYS . 34.7 ttmt -55.83 -45.4 78.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.999 178.645 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.459 ' O ' ' HG2' ' A' ' 78' ' ' GLU . 13.4 mptt -63.28 -47.34 82.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.409 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.464 ' HD3' ' HA ' ' A' ' 75' ' ' LYS . 28.1 mmtp -68.68 -29.87 68.42 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.809 0.299 . . . . 0.0 111.809 -179.001 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.666 HD12 HG21 ' A' ' 61' ' ' ILE . 5.1 mp -64.82 -43.67 92.37 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 171.269 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -64.03 -44.94 91.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.456 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 16.3 mm-40 -52.99 -41.88 65.02 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.507 177.177 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.3 m -90.39 -5.57 55.99 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.401 -176.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 60.13 33.08 21.15 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.349 0.595 . . . . 0.0 110.279 -175.571 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.556 HD21 ' HB3' ' A' ' 59' ' ' LYS . 30.6 tp -103.73 1.6 31.98 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.867 -174.236 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.616 ' HA ' HD23 ' A' ' 76' ' ' LEU . 10.7 m -54.03 -42.16 68.85 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.701 -178.54 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -58.1 -51.8 68.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.455 -177.49 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -64.77 -23.26 67.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.223 -176.374 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -88.9 -41.59 12.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.368 -179.228 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 54.9 tttp -68.68 -46.97 67.68 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 123.291 0.369 . . . . 0.0 111.83 -175.411 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -74.59 123.78 25.46 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.469 ' HB2' ' CA ' ' A' ' 19' ' ' GLY . 65.7 pttt . . . . . 0 C--N 1.327 -0.392 0 CA-C-O 121.106 0.479 . . . . 0.0 111.461 -174.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.0 mtp . . . . . 0 N--CA 1.484 1.245 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.01 103.93 0.18 Allowed 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.921 2.414 . . . . 0.0 112.732 -177.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -164.4 112.01 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.153 -0.93 . . . . 0.0 108.536 178.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.432 HG22 ' O ' ' A' ' 4' ' ' ILE . 38.9 mm 57.16 45.57 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 122.642 1.211 . . . . 0.0 108.423 -168.674 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -161.74 173.45 14.62 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.0 -1.455 . . . . 0.0 108.217 -176.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.572 HG11 ' HA ' ' A' ' 65' ' ' LYS . 34.7 m -55.43 148.03 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.18 0.514 . . . . 0.0 111.86 -178.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.26 -35.13 4.32 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.967 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.42 ' HD2' ' HA ' ' A' ' 8' ' ' ARG . 6.7 tpt180 -83.05 124.8 30.78 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.794 0.331 . . . . 0.0 110.743 -177.282 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.504 HD11 HG23 ' A' ' 61' ' ' ILE . 56.7 mt -86.06 142.97 12.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.665 -178.384 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.54 ' HA ' ' HA ' ' A' ' 56' ' ' PRO . 8.7 p -128.41 163.15 25.5 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.082 178.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.8 p -145.98 151.49 14.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.61 -176.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.488 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 91.0 mttt -66.02 100.48 0.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 174.104 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.34 -37.97 81.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.212 -178.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -142.13 143.6 33.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.0 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 145.06 -51.0 0.62 Allowed Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 -178.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -157.34 55.69 0.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 173.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.495 ' HG2' ' HE3' ' A' ' 90' ' ' LYS . 1.6 mp0 66.54 -83.39 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 114.49 -1.232 . . . . 0.0 112.08 -179.445 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -162.91 36.01 0.1 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.078 0.466 . . . . 0.0 110.912 -176.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -86.06 25.92 6.53 Favored Glycine 0 CA--C 1.521 0.433 0 C-N-CA 120.57 -0.824 . . . . 0.0 114.008 -175.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.488 ' HB2' ' HD2' ' A' ' 12' ' ' LYS . 32.2 m -156.73 124.01 5.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 117.424 0.612 . . . . 0.0 110.909 177.412 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -122.14 137.3 54.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.767 177.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 57.3 m -144.15 160.67 40.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.938 0.399 . . . . 0.0 111.339 -174.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.404 HG21 HD11 ' A' ' 61' ' ' ILE . 12.0 p -129.29 147.54 33.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.117 175.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.54 HG12 HG12 ' A' ' 35' ' ' VAL . 62.9 mt -83.72 129.92 36.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.2 p -113.6 -35.43 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.699 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -132.59 131.44 41.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.146 0.498 . . . . 0.0 110.836 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.41 ' N ' HD12 ' A' ' 27' ' ' ILE . 4.1 mp -106.54 123.08 61.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.293 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.416 ' N ' HD12 ' A' ' 28' ' ' ILE . 3.8 mp -92.38 -43.5 13.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 177.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -160.5 -163.62 1.11 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.435 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.07 -32.28 72.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.784 0.326 . . . . 0.0 111.435 -179.274 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -101.85 -45.98 5.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.974 178.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -77.82 107.86 10.64 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.122 -174.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.7 m -132.3 150.81 33.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.996 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 tp -105.57 116.5 32.04 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.204 177.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.54 HG12 HG12 ' A' ' 24' ' ' ILE . 27.0 m -106.81 144.18 16.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.173 178.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.6 t -151.37 176.44 11.26 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.321 -177.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.483 ' HA3' ' HB ' ' A' ' 44' ' ' VAL . . . -146.51 179.02 23.8 Favored Glycine 0 N--CA 1.443 -0.834 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 176.259 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.81 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 23.4 Cg_exo -63.65 114.28 2.49 Favored 'Trans proline' 0 C--O 1.238 0.5 0 C-N-CA 122.576 2.184 . . . . 0.0 111.641 179.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -59.34 -59.57 5.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.01 -175.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -81.0 -15.32 56.54 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.884 -173.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.81 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 67.6 mt -88.58 -60.45 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.327 -176.37 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.559 ' HB ' HG23 ' A' ' 44' ' ' VAL . 4.8 m -106.65 -30.62 8.88 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.984 0.421 . . . . 0.0 111.466 -175.457 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.23 51.41 5.0 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.385 -175.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.559 HG23 ' HB ' ' A' ' 42' ' ' THR . 57.8 t -93.47 115.34 32.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.97 0.414 . . . . 0.0 110.454 -179.103 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -68.88 127.74 34.2 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.427 178.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -78.75 142.89 36.66 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.1 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -148.31 144.67 27.74 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.171 0.51 . . . . 0.0 110.882 178.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -102.02 115.47 30.61 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.773 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.4 m -125.61 169.34 17.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.445 -176.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -103.01 28.79 5.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.954 176.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 61.3 mt 56.16 82.03 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.592 -173.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 60.0 tp -83.97 -55.12 4.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.98 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -158.31 74.51 0.7 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 177.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 54.0 tp -136.7 126.75 26.06 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.305 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.459 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 34.8 mt-10 -124.88 130.47 24.22 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-O 120.626 0.25 . . . . 0.0 110.513 -176.378 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.54 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 12.4 Cg_exo -70.53 152.72 65.53 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.842 2.361 . . . . 0.0 112.643 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 59' ' ' LYS . 11.3 t -99.48 -167.56 1.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.907 179.046 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -84.66 -26.03 28.07 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.808 -175.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.412 ' H ' HG23 ' A' ' 57' ' ' THR . 67.9 mttm -77.15 149.26 35.63 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.467 0.651 . . . . 0.0 112.096 -172.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.463 ' HE2' ' HB3' ' A' ' 60' ' ' LYS . 15.8 ttpt -141.15 140.16 34.03 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.046 -177.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.504 HG23 HD11 ' A' ' 9' ' ' ILE . 27.1 pt -100.52 160.53 3.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 175.295 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -97.71 89.96 4.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.8 0.333 . . . . 0.0 110.639 -175.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 45.7 pt -141.57 173.09 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.172 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -108.51 175.35 5.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.262 177.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.572 ' HA ' HG11 ' A' ' 6' ' ' VAL . 29.7 ttpt -83.52 115.36 22.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.12 0.486 . . . . 0.0 110.677 -178.146 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 108.98 52.76 0.64 Allowed Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -176.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -104.66 178.96 4.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.243 0.544 . . . . 0.0 111.309 -175.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.536 ' H ' ' HB3' ' A' ' 71' ' ' GLU . 78.0 p -129.8 174.38 9.78 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.804 178.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -59.79 -39.23 84.23 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.953 173.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -58.34 -52.46 65.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.52 176.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.536 ' HB3' ' H ' ' A' ' 68' ' ' SER . 36.9 tp10 -54.99 -55.1 34.65 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.735 -1.12 . . . . 0.0 111.191 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 98.4 t -59.86 -43.4 91.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.012 -177.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -60.94 -44.64 96.96 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -178.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -70.19 -44.63 68.32 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.362 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 75' ' ' LYS . 30.0 mmtp -70.17 -31.61 69.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.877 0.37 . . . . 0.0 111.195 -178.093 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 29.7 tp -70.58 -40.59 73.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.74 175.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -58.19 -50.96 71.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.448 178.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -58.28 -40.77 82.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.403 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.3 m -77.94 -2.9 39.17 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.646 -177.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 66.1 t30 63.9 18.85 11.44 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.53 0.681 . . . . 0.0 111.342 176.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 28.2 tp -96.57 5.89 49.85 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.324 0.583 . . . . 0.0 110.226 -176.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.4 t -62.2 -43.27 99.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.773 -177.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -65.04 -40.93 95.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.723 -176.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -63.04 -36.81 84.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.779 177.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 10.2 tpt -78.33 -26.1 46.71 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.112 0.482 . . . . 0.0 110.274 -178.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 44.0 tttp -79.16 -25.71 42.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.592 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -48.34 120.6 3.73 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.416 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -112.68 130.9 55.89 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.787 -177.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.618 HG22 ' HD3' ' A' ' 90' ' ' LYS . 3.6 mp -128.63 145.43 35.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 -178.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.618 ' HD3' HG22 ' A' ' 89' ' ' ILE . 6.1 mptp? 59.11 34.97 23.6 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.272 0.558 . . . . 0.0 111.556 178.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.432 ' O ' HG12 ' A' ' 91' ' ' ILE . 15.2 tt -91.55 33.47 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 122.313 1.054 . . . . 0.0 109.539 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 35.2 ttt180 -81.6 136.3 35.55 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.807 -176.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.465 ' HB2' HD23 ' A' ' 96' ' ' LEU . 62.3 mtt -79.12 145.41 65.03 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.288 177.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -58.64 -37.34 94.79 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.006 2.47 . . . . 0.0 112.248 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.8 t -130.37 133.13 46.17 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.323 179.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.465 HD23 ' HB2' ' A' ' 93' ' ' MET . 1.9 pp . . . . . 0 C--O 1.247 0.974 0 CA-C-O 118.663 -0.684 . . . . 0.0 110.235 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.659 ' HB2' ' HG2' ' A' ' 5' ' ' GLU . 25.0 mmt . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -63.71 153.95 72.2 Favored 'Trans proline' 0 C--O 1.237 0.426 0 C-N-CA 122.499 2.133 . . . . 0.0 111.564 175.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 71.57 -164.35 0.13 Allowed 'General case' 0 N--CA 1.455 -0.216 0 O-C-N 124.023 0.827 . . . . 0.0 111.257 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.538 HG23 HD13 ' A' ' 24' ' ' ILE . 47.2 mm -87.98 112.45 23.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.166 -0.924 . . . . 0.0 110.899 -177.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.659 ' HG2' ' HB2' ' A' ' 1' ' ' MET . 0.0 OUTLIER -140.43 175.2 9.8 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.08 177.356 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 42.9 t -69.93 127.95 32.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.361 -174.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.87 6.67 63.38 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.571 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.653 ' HB3' HD12 ' A' ' 24' ' ' ILE . 3.4 tpt180 -76.55 133.21 39.77 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.886 0.374 . . . . 0.0 110.722 -179.45 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.429 HG12 ' HA ' ' A' ' 60' ' ' LYS . 50.4 mm -83.98 114.14 24.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 173.436 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.9 p -116.27 140.49 49.26 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.379 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.8 p -99.6 146.98 7.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.345 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.498 ' HE3' ' HB2' ' A' ' 20' ' ' SER . 9.5 ptpt -76.99 85.74 3.51 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.082 176.456 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.9 t -60.21 -57.01 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.3 tttm 54.72 -83.44 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 O-C-N 124.099 0.874 . . . . 0.0 111.874 177.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -162.27 -78.41 0.03 OUTLIER Glycine 0 N--CA 1.443 -0.892 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 -178.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.631 ' HA ' ' HE ' ' A' ' 16' ' ' ARG . 2.2 mmp_? -115.94 -10.58 11.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.775 0.322 . . . . 0.0 111.11 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -113.72 114.46 26.4 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.418 ' HA ' ' O ' ' A' ' 12' ' ' LYS . . . -138.85 32.76 2.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.822 -175.59 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.551 ' HA2' ' HB ' ' A' ' 89' ' ' ILE . . . -90.69 36.62 3.55 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.687 -0.768 . . . . 0.0 113.541 -172.282 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.498 ' HB2' ' HE3' ' A' ' 12' ' ' LYS . 14.6 m -154.3 152.7 30.58 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 122.345 -0.503 . . . . 0.0 110.552 178.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.2 mptt -119.09 146.44 45.09 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 173.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.406 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 51.8 m -122.79 146.31 47.64 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.925 0.393 . . . . 0.0 110.254 178.119 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.2 t -108.29 125.78 65.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.122 -179.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.653 HD12 ' HB3' ' A' ' 8' ' ' ARG . 47.3 mt -78.51 96.71 2.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.745 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.7 m -98.05 -25.5 4.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -173.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.538 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 25.3 t70 -142.39 134.63 27.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.996 0.426 . . . . 0.0 111.093 -177.077 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.435 ' H ' ' HD2' ' A' ' 65' ' ' LYS . 35.0 mm -100.24 113.35 35.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.492 177.099 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 62.9 mt -90.02 -53.86 8.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.091 0.472 . . . . 0.0 110.483 -177.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.479 ' CG ' ' H ' ' A' ' 30' ' ' ASP . 14.4 t70 -133.33 -151.2 0.44 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.479 ' H ' ' CG ' ' A' ' 29' ' ' ASP . 37.2 t70 -74.51 -53.53 9.29 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.751 0.31 . . . . 0.0 111.011 -177.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -107.38 -27.75 10.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.805 175.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.473 ' HB2' ' HB3' ' A' ' 29' ' ' ASP . 67.6 m-85 -70.76 105.07 3.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.527 178.431 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.2 m -122.35 162.69 21.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.847 0.356 . . . . 0.0 110.441 178.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.538 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . 6.4 tt -103.95 116.63 32.6 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 177.358 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.406 ' HB ' ' HB3' ' A' ' 22' ' ' CYS . 30.2 m -113.65 151.15 15.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.524 -178.612 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.453 ' HB ' ' HB3' ' A' ' 46' ' ' ARG . 15.3 t -161.95 170.77 18.78 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.798 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -125.49 159.43 20.01 Favored Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 173.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.464 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 51.8 Cg_exo -53.16 122.07 10.52 Favored 'Trans proline' 0 C--O 1.237 0.442 0 C-N-CA 122.469 2.113 . . . . 0.0 111.434 178.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -65.66 -29.27 69.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.977 0.418 . . . . 0.0 110.879 -174.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.87 ' HB3' ' HE2' ' A' ' 73' ' ' LYS . 39.0 t70 -93.61 5.68 50.79 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.013 -175.571 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.623 HG13 ' HD3' ' A' ' 73' ' ' LYS . 65.1 mt -129.17 -79.39 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.036 0.446 . . . . 0.0 111.182 178.318 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.92 -40.08 61.06 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.468 -172.707 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.97 36.41 28.29 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.469 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.3 t -95.35 120.49 44.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 178.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.9 pttt -67.8 141.98 56.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.168 0.509 . . . . 0.0 111.45 -178.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.453 ' HB3' ' HB ' ' A' ' 36' ' ' THR . 10.6 ptm180 -82.36 131.01 35.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.269 -177.364 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -159.37 169.95 22.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.235 177.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -90.42 133.16 35.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.039 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.46 HG12 ' H ' ' A' ' 51' ' ' ILE . 41.9 t -136.77 147.4 27.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 178.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -98.14 24.88 6.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.705 0.288 . . . . 0.0 111.453 -177.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.513 ' HA ' HD23 ' A' ' 54' ' ' LEU . 17.3 mm 60.49 27.23 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 CA-C-O 121.791 0.805 . . . . 0.0 110.515 -179.491 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.5 tp -42.58 -46.15 4.82 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 114.698 -1.137 . . . . 0.0 112.702 -178.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.69 44.68 1.1 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.232 0.539 . . . . 0.0 110.465 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.513 HD23 ' HA ' ' A' ' 51' ' ' ILE . 3.4 mm? -109.72 159.26 17.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.715 179.002 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -151.91 130.69 6.41 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-O 120.532 0.206 . . . . 0.0 110.607 178.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -67.08 123.29 10.75 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.789 2.326 . . . . 0.0 111.73 176.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.1 p -134.63 143.94 47.58 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.713 -176.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 t70 63.45 -158.14 0.32 Allowed 'General case' 0 C--O 1.236 0.393 0 O-C-N 124.013 0.82 . . . . 0.0 110.799 172.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -78.41 147.97 33.83 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.067 0.46 . . . . 0.0 110.961 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.537 ' HE3' ' OE1' ' A' ' 5' ' ' GLU . 0.0 OUTLIER -118.05 157.39 26.91 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.09 -179.414 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 22.3 pt -86.97 124.11 40.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.144 0.497 . . . . 0.0 110.397 178.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -84.13 90.52 7.5 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.035 0.445 . . . . 0.0 110.376 -176.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 36.1 pt -127.14 173.9 11.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.829 -177.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -99.26 154.04 18.48 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.628 177.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.435 ' HD2' ' H ' ' A' ' 27' ' ' ILE . 39.0 ttpt -69.38 115.56 8.79 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 119.92 34.01 1.02 Allowed Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.528 -0.629 . . . . 0.0 111.528 -176.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.95 149.68 25.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.73 0.3 . . . . 0.0 110.609 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.405 ' O ' HG23 ' A' ' 72' ' ' VAL . 21.4 m -95.62 158.84 15.27 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.714 -178.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -58.44 -39.53 80.11 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.128 0.489 . . . . 0.0 110.872 -179.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -63.34 -51.72 64.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.93 175.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 62.2 tt0 -56.1 -46.78 78.96 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.876 -1.057 . . . . 0.0 111.573 -177.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 68' ' ' SER . 94.7 t -59.8 -48.04 89.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.646 0.26 . . . . 0.0 111.025 179.305 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.87 ' HE2' ' HB3' ' A' ' 40' ' ' ASP . 9.2 mtmp? -70.25 -27.0 64.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.839 0.352 . . . . 0.0 111.085 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -63.64 -42.15 98.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.514 0.673 . . . . 0.0 109.301 174.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.827 ' HE2' ' HA ' ' A' ' 75' ' ' LYS . 9.9 mmpt? -67.14 -41.14 86.62 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.433 176.068 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.3 mt -64.63 -27.51 68.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.415 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.78 -50.87 31.19 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 177.335 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -62.3 -36.09 81.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.328 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 47.1 t -83.81 -16.64 43.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.242 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 65.5 t30 65.4 13.55 8.89 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.48 0.657 . . . . 0.0 110.774 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.4 tp -86.46 3.4 44.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.941 -174.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.6 t -57.99 -40.99 82.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.838 -178.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -64.23 -41.55 96.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.543 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -62.47 -42.74 99.69 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.008 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -43.66 76.7 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -178.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -56.18 -41.4 75.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.288 -178.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -48.65 126.93 12.69 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 123.751 0.657 . . . . 0.0 111.97 -173.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.459 ' HE3' ' HB2' ' A' ' 88' ' ' LYS . 23.1 ttmt -117.9 140.46 49.68 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.97 -175.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.551 ' HB ' ' HA2' ' A' ' 19' ' ' GLY . 26.5 mm -112.52 149.54 15.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -176.404 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.2 mptt 60.56 33.57 20.43 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.448 0.642 . . . . 0.0 111.097 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.7 tp -103.06 109.14 26.0 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.972 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.24 118.23 32.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.913 179.475 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 59.8 mtt -128.74 109.97 18.77 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.016 178.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.94 93.7 0.33 Allowed 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 122.31 2.006 . . . . 0.0 111.283 176.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 13.7 t -152.65 154.96 36.37 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.002 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.4 tt . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.212 -0.899 . . . . 0.0 108.791 -178.889 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.8 ttm . . . . . 0 N--CA 1.481 1.125 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -53.77 109.99 0.44 Allowed 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.841 2.36 . . . . 0.0 112.371 176.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -173.52 86.25 0.05 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.891 -178.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.742 HG13 HD13 ' A' ' 51' ' ' ILE . 48.6 mm 65.87 91.92 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 121.693 0.759 . . . . 0.0 110.923 -178.283 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.543 ' HB2' ' HB2' ' A' ' 8' ' ' ARG . 11.5 mp0 -98.64 139.0 35.01 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.139 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.7 m -64.37 120.51 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.13 0.49 . . . . 0.0 110.065 174.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.81 -10.13 62.26 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.061 -176.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.543 ' HB2' ' HB2' ' A' ' 5' ' ' GLU . 59.2 ttt180 -81.85 132.4 35.27 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.32 -0.518 . . . . 0.0 109.745 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.9 mm -85.61 129.79 37.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.896 -171.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.5 p -125.81 141.47 51.98 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.353 0.597 . . . . 0.0 111.412 -178.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.1 p -107.54 152.76 9.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.462 -0.79 . . . . 0.0 108.97 177.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.0 134.72 38.69 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.879 0.371 . . . . 0.0 110.409 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.3 p -117.25 61.08 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 122.842 1.306 . . . . 0.0 109.124 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -68.24 -29.33 68.13 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.015 -1.448 . . . . 0.0 110.639 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 162.14 -66.43 0.25 Allowed Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.269 177.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -129.99 -29.48 2.08 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.043 0.449 . . . . 0.0 110.489 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.401 ' CD ' ' H ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -114.49 -172.65 2.15 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.206 -176.753 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.401 ' H ' ' CD ' ' A' ' 17' ' ' GLU . . . 73.63 29.98 1.47 Allowed 'General case' 0 N--CA 1.463 0.219 0 O-C-N 123.951 0.782 . . . . 0.0 110.256 -179.159 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.78 33.78 1.89 Allowed Glycine 0 CA--C 1.519 0.298 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.694 -179.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.5 m -96.82 164.49 12.54 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 178.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -110.4 149.75 29.8 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.6 p -143.88 155.75 44.21 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.795 0.331 . . . . 0.0 110.602 177.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.3 t -111.49 133.18 57.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.415 -177.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.534 HG13 HG12 ' A' ' 35' ' ' VAL . 4.3 mp -78.37 112.27 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 174.284 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.0 p -99.28 -28.3 3.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -173.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -147.56 144.46 28.5 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.791 -177.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.0 mm -102.73 87.65 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.36 -178.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 54.7 mt -71.36 -46.84 62.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.376 0.608 . . . . 0.0 109.638 177.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.512 ' HB3' ' HB2' ' A' ' 32' ' ' PHE . 18.2 t70 -138.26 170.69 15.58 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.314 -0.857 . . . . 0.0 108.833 177.547 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -81.62 -18.83 43.34 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 120.85 0.357 . . . . 0.0 111.149 -174.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -124.74 -10.33 7.28 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.283 0.563 . . . . 0.0 110.191 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.512 ' HB2' ' HB3' ' A' ' 29' ' ' ASP . 91.2 m-85 -121.69 101.55 7.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.601 174.582 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.0 m -111.54 169.11 4.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.755 0.312 . . . . 0.0 111.347 -175.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -103.85 116.3 32.04 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 178.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.534 HG12 HG13 ' A' ' 24' ' ' ILE . 30.0 m -111.32 143.69 20.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.139 0.495 . . . . 0.0 110.487 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.2 t -136.97 156.28 48.65 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.773 177.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.5 176.1 18.01 Favored Glycine 0 N--CA 1.439 -1.1 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 177.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.552 ' HB2' ' H ' ' A' ' 42' ' ' THR . 38.0 Cg_exo -60.87 108.37 0.54 Allowed 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.391 2.061 . . . . 0.0 111.437 177.393 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -66.04 -43.93 86.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.498 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -79.96 -44.26 20.6 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.076 -178.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.447 ' HB ' ' CB ' ' A' ' 38' ' ' PRO . 68.3 mt -76.78 -60.88 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.101 -0.5 . . . . 0.0 112.036 -172.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.552 ' H ' ' HB2' ' A' ' 38' ' ' PRO . 9.9 m -91.94 -38.74 12.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.96 0.409 . . . . 0.0 111.431 -175.724 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.83 39.36 5.54 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.708 -176.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.503 HG23 ' HB ' ' A' ' 42' ' ' THR . 53.8 t -87.72 131.2 36.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 0.0 110.639 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -96.21 118.32 32.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.69 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.443 ' HD2' ' O ' ' A' ' 46' ' ' ARG . 4.2 ppt_? -70.66 140.39 51.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.371 0.605 . . . . 0.0 112.108 -173.436 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -159.99 158.39 30.51 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -82.25 133.9 35.27 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.9 m -126.05 167.46 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.133 0.492 . . . . 0.0 111.796 -173.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -107.64 132.37 53.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.417 177.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.742 HD13 HG13 ' A' ' 4' ' ' ILE . 39.7 mt -76.06 83.83 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.403 0.62 . . . . 0.0 110.366 -178.168 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.9 tt -119.62 -65.32 1.17 Allowed 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.268 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -109.83 49.83 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.269 0.557 . . . . 0.0 111.165 -178.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 51' ' ' ILE . 8.1 mp -109.9 130.62 55.5 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.789 177.107 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.428 ' OE2' ' HD2' ' A' ' 56' ' ' PRO . 0.5 OUTLIER -119.45 119.36 31.69 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -179.629 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.428 ' HD2' ' OE2' ' A' ' 55' ' ' GLU . 38.4 Cg_exo -62.12 133.2 42.71 Favored 'Trans proline' 0 N--CA 1.464 -0.208 0 C-N-CA 122.675 2.25 . . . . 0.0 111.693 176.541 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 73.2 p -87.7 -171.44 3.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -178.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -80.39 -26.55 38.48 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.956 0.408 . . . . 0.0 111.084 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -93.97 158.82 15.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.522 0.677 . . . . 0.0 112.034 -175.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -161.47 124.16 3.08 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.783 -1.098 . . . . 0.0 109.261 178.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 30.5 pt -93.63 139.15 18.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.978 0.418 . . . . 0.0 109.894 178.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -90.13 99.54 12.53 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.173 0.511 . . . . 0.0 110.648 -178.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 39.7 pt -126.63 -174.47 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.737 -178.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -104.69 165.31 11.15 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.278 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -78.2 62.63 2.95 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.528 0.68 . . . . 0.0 110.156 178.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.02 47.87 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.29 -178.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.436 ' HB1' ' HB3' ' A' ' 71' ' ' GLU . . . -120.32 120.33 35.72 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 120.726 0.298 . . . . 0.0 110.25 -178.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.0 m -91.68 -172.9 3.36 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.004 -176.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -53.56 -24.76 14.53 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.799 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.06 -51.76 35.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.591 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.436 ' HB3' ' HB1' ' A' ' 67' ' ' ALA . 46.2 tp10 -72.49 -36.59 68.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.873 -179.248 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 95.3 t -59.45 -37.84 71.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.005 0.431 . . . . 0.0 110.109 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.566 ' HB2' ' HZ2' ' A' ' 73' ' ' LYS . 4.4 ttmp? -64.8 -39.52 93.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.479 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -58.72 -52.07 67.27 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.15 0.5 . . . . 0.0 110.06 176.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.703 ' HE2' ' HA ' ' A' ' 75' ' ' LYS . 10.4 mmpt? -59.51 -44.45 93.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.979 -178.216 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.526 HD21 ' HG3' ' A' ' 85' ' ' MET . 5.5 mp -59.7 -39.21 83.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.232 178.404 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -65.06 -49.45 70.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.579 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -56.49 -44.68 80.92 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.407 178.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.3 m -85.01 -7.97 58.92 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.977 -176.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 66.7 t30 58.51 37.24 25.56 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.737 0.779 . . . . 0.0 109.513 -176.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.512 ' HG ' ' HB3' ' A' ' 84' ' ' TYR . 15.1 tp -106.23 22.37 15.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.598 -171.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.5 m -59.48 -50.88 72.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.966 -176.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -59.85 -35.9 75.73 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.145 0.497 . . . . 0.0 110.865 -176.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.512 ' HB3' ' HG ' ' A' ' 81' ' ' LEU . 82.5 t80 -52.78 -39.95 62.75 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.921 -177.165 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.526 ' HG3' HD21 ' A' ' 76' ' ' LEU . 24.2 mmt -83.14 -26.59 30.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.81 0.338 . . . . 0.0 111.877 -176.48 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -92.3 -11.06 36.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.321 0.581 . . . . 0.0 110.206 -177.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -70.79 129.23 38.56 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.181 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -103.01 140.63 37.03 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 170.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.676 HG22 ' HD3' ' A' ' 90' ' ' LYS . 14.5 mt -82.46 129.37 37.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 -179.258 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.676 ' HD3' HG22 ' A' ' 89' ' ' ILE . 5.7 mptp? 62.56 -163.24 0.27 Allowed 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.153 -177.202 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.478 HG22 ' O ' ' A' ' 91' ' ' ILE . 48.8 mt 67.88 37.65 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-O 122.431 1.11 . . . . 0.0 110.206 176.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 95.2 mtm-85 -139.11 139.85 37.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.041 173.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.496 ' SD ' ' HD2' ' A' ' 94' ' ' PRO . 17.0 tpt -89.83 125.64 60.2 Favored Pre-proline 0 C--N 1.321 -0.658 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 -178.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.496 ' HD2' ' SD ' ' A' ' 93' ' ' MET . 16.8 Cg_endo -59.11 120.67 8.67 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.637 2.225 . . . . 0.0 111.881 176.006 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.3 t -86.6 122.52 30.63 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.469 -179.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.8 tt . . . . . 0 C--O 1.247 0.929 0 CA-C-O 118.495 -0.764 . . . . 0.0 109.775 -176.038 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.8 mtp . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -59.04 114.57 2.07 Favored 'Trans proline' 0 CA--C 1.529 0.233 0 C-N-CA 122.853 2.369 . . . . 0.0 113.17 -177.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -142.63 110.1 5.73 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.486 177.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.3 mm -102.55 76.44 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.374 0.606 . . . . 0.0 110.55 -175.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -115.27 131.19 57.01 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.064 177.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.9 m -57.57 119.11 2.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.341 0.591 . . . . 0.0 110.109 175.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.66 -16.91 10.33 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.013 -177.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.529 ' HA ' ' NE ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -90.37 103.82 16.46 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 121.127 0.489 . . . . 0.0 109.958 177.078 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.601 HG13 HG22 ' A' ' 23' ' ' VAL . 4.3 mp -68.86 118.55 13.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 173.118 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.588 ' SG ' HD23 ' A' ' 54' ' ' LEU . 3.6 p -102.22 152.09 21.45 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 120.992 0.425 . . . . 0.0 110.866 -176.211 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.6 p -124.2 143.48 37.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.51 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 54.9 mtmt -83.7 81.39 8.77 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.289 179.186 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.8 m -64.33 -37.78 80.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.47 -0.786 . . . . 0.0 112.52 -172.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -101.74 27.53 6.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.488 0.661 . . . . 0.0 110.136 -177.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -83.53 39.97 2.84 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.555 175.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 66.3 -65.38 0.19 Allowed 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.228 1.011 . . . . 0.0 111.69 -177.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -99.42 -17.0 18.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.74 0.305 . . . . 0.0 110.862 -178.058 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.434 ' HA ' ' O ' ' A' ' 12' ' ' LYS . . . 58.9 31.64 21.49 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.555 178.16 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.566 ' HA3' ' HB ' ' A' ' 89' ' ' ILE . . . -99.83 46.48 1.39 Allowed Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.73 -0.748 . . . . 0.0 113.562 -173.247 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 p -162.8 136.03 5.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.185 0.517 . . . . 0.0 111.89 176.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.33 153.85 37.2 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.114 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.552 ' HB2' ' HB ' ' A' ' 35' ' ' VAL . 7.8 p -148.34 155.3 41.11 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.128 0.489 . . . . 0.0 111.674 -177.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.601 HG22 HG13 ' A' ' 9' ' ' ILE . 22.5 t -112.37 131.01 65.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.033 177.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 60.4 mt -77.84 116.65 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 177.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.2 m -107.23 -31.2 2.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -144.39 147.12 33.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.831 0.348 . . . . 0.0 110.66 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.435 HG23 HG12 ' A' ' 33' ' ' VAL . 62.4 mt -116.3 114.63 46.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.507 -177.154 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.407 ' N ' HD12 ' A' ' 28' ' ' ILE . 3.7 mp -84.22 -56.25 5.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.035 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -137.62 -165.06 1.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.989 176.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -84.15 -8.48 59.07 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -171.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -121.6 -42.91 2.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.069 -0.394 . . . . 0.0 111.136 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -101.35 120.24 39.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.363 0.601 . . . . 0.0 111.044 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.435 HG12 HG23 ' A' ' 27' ' ' ILE . 27.2 m -123.62 167.81 16.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.346 178.729 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 61.8 tp -97.59 116.12 29.18 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 177.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.552 ' HB ' ' HB2' ' A' ' 22' ' ' CYS . 26.9 m -120.13 149.77 22.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.018 -178.463 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.0 t -157.74 171.47 20.25 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.382 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.606 ' HA3' ' HB ' ' A' ' 44' ' ' VAL . . . -125.74 162.39 19.98 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.413 -0.898 . . . . 0.0 111.28 175.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -66.2 143.59 71.67 Favored 'Trans proline' 0 C--O 1.237 0.466 0 C-N-CA 122.453 2.102 . . . . 0.0 111.751 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.45 -166.02 1.39 Allowed 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 176.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 67.37 -57.43 0.44 Allowed 'General case' 0 C--N 1.321 -0.671 0 O-C-N 124.115 0.884 . . . . 0.0 111.273 -178.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 58.9 mt -88.95 -73.45 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.275 -176.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.441 ' O ' ' HD3' ' A' ' 94' ' ' PRO . 4.6 m -90.1 -50.3 6.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.797 0.332 . . . . 0.0 111.23 -175.044 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.12 44.49 11.61 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.899 177.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.606 ' HB ' ' HA3' ' A' ' 37' ' ' GLY . 39.6 t -78.22 118.09 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 177.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.48 139.33 42.16 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.191 -178.102 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.0 ptt180 -72.29 149.24 44.66 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.389 0.614 . . . . 0.0 112.217 -172.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -158.23 150.93 22.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.203 -178.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 -92.94 109.82 21.27 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 173.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.7 t -122.53 157.92 27.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.205 -175.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -85.14 148.73 25.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.066 177.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 36.7 pt -84.67 8.2 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -176.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 46.2 tp -78.25 -11.0 59.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.907 0.384 . . . . 0.0 111.466 -175.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.417 ' C ' HD12 ' A' ' 54' ' ' LEU . 40.3 m170 -121.76 14.32 10.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.719 0.295 . . . . 0.0 110.989 -178.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.588 HD23 ' SG ' ' A' ' 10' ' ' CYS . 8.9 mp -118.58 128.18 54.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.041 -175.406 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.483 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 4.3 mm-40 -112.96 120.23 41.04 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.385 177.622 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.484 ' HB3' ' HG3' ' A' ' 8' ' ' ARG . 6.2 Cg_exo -80.24 134.17 10.15 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 123.28 2.653 . . . . 0.0 112.129 176.132 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 45.6 p -72.18 165.61 24.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.213 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -66.56 -24.91 66.42 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.767 -178.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -65.97 150.53 48.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.472 177.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -158.68 124.89 4.58 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.002 0.429 . . . . 0.0 111.208 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 15.4 pt -104.42 116.93 49.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 170.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -79.51 105.08 10.57 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.364 -170.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 38.4 pt -125.67 -169.45 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.338 176.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -121.95 -174.51 2.9 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.092 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -84.89 130.64 34.62 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 121.104 -0.238 . . . . 0.0 110.475 -177.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 120.29 24.87 2.58 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.233 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.84 128.93 34.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.799 0.333 . . . . 0.0 110.741 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.489 ' O ' HG23 ' A' ' 72' ' ' VAL . 22.3 p -94.73 169.59 10.05 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.188 -178.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.07 -48.82 70.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.504 178.351 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.558 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 3.7 tp10 -59.97 -42.58 94.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.543 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -60.34 -42.82 96.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.067 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.499 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 69.7 t -61.15 -47.38 93.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.577 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.558 ' HE3' ' HA ' ' A' ' 70' ' ' GLU . 37.8 mtmt -59.97 -40.95 90.81 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.97 0.414 . . . . 0.0 110.796 176.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.413 ' HE2' ' HG2' ' A' ' 75' ' ' LYS . 1.0 OUTLIER -56.35 -46.85 79.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.787 177.577 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.413 ' HG2' ' HE2' ' A' ' 74' ' ' LYS . 21.7 mtpp -80.17 -23.26 41.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.125 -175.324 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 64.8 mt -66.18 -33.59 76.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.107 0.48 . . . . 0.0 109.864 173.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -65.25 -42.33 93.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.546 177.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -61.92 -43.84 98.02 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.188 0.518 . . . . 0.0 110.648 177.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.3 m -76.82 -17.65 58.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.749 -175.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 63.93 23.08 13.22 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.37 0.605 . . . . 0.0 110.212 -176.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 30.5 tp -91.9 0.01 57.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.236 -176.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.0 m -54.03 -42.94 69.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.869 -177.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.564 ' O ' ' HB2' ' A' ' 87' ' ' GLU . 50.4 mt-10 -64.72 -41.11 96.21 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.459 -178.706 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -74.68 -31.13 61.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.945 0.403 . . . . 0.0 110.756 -174.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.49 -38.14 49.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.115 0.483 . . . . 0.0 109.877 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -74.15 -31.9 62.92 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.83 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.564 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -77.32 -175.69 3.82 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 178.069 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.477 ' H ' ' CD ' ' A' ' 87' ' ' GLU . 24.7 tptt 72.32 -171.61 0.15 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.566 ' HB ' ' HA3' ' A' ' 19' ' ' GLY . 4.7 mp -77.68 146.64 8.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -178.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.1 pttt -147.47 126.5 12.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.485 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.418 ' N ' HD12 ' A' ' 91' ' ' ILE . 3.6 mp -87.44 110.09 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 -174.351 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 62.07 84.63 0.13 Allowed 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.73 177.321 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.57 158.92 72.96 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.448 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.441 ' HD3' ' O ' ' A' ' 42' ' ' THR . 6.9 Cg_exo -73.98 -8.42 21.16 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.01 2.473 . . . . 0.0 112.461 -179.003 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 30.3 m -90.63 98.1 11.57 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.677 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 52.0 tp . . . . . 0 C--O 1.253 1.243 0 CA-C-O 118.602 -0.713 . . . . 0.0 110.001 179.579 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ttt . . . . . 0 N--CA 1.478 0.938 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -63.2 119.97 7.24 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.529 2.153 . . . . 0.0 111.826 178.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.23 106.53 18.75 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.09 -178.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.3 mm -99.4 92.0 2.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 176.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -163.68 -170.65 2.26 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.42 -176.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.524 HG11 ' HB2' ' A' ' 65' ' ' LYS . 31.7 m -68.92 139.86 19.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.204 0.526 . . . . 0.0 109.97 177.071 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.59 9.3 72.28 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.518 -0.848 . . . . 0.0 112.175 -177.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -74.09 106.49 5.79 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 58.1 mt -82.62 121.25 35.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.232 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.549 ' HA ' ' HA ' ' A' ' 56' ' ' PRO . 4.7 p -140.72 156.97 46.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.059 -176.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.6 p -117.83 147.61 21.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.33 178.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.436 ' HZ3' HD11 ' A' ' 54' ' ' LEU . 47.1 tptt -72.97 125.14 26.9 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.18 -179.348 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.1 p -111.91 63.68 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-O 123.016 1.388 . . . . 0.0 109.803 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -82.84 20.31 1.2 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.169 -1.378 . . . . 0.0 110.802 177.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 144.17 -141.01 9.81 Favored Glycine 0 N--CA 1.444 -0.781 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -178.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 16' ' ' ARG . 23.0 mtm180 -89.45 -10.0 48.05 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.413 0.625 . . . . 0.0 110.079 176.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -91.79 98.2 11.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.195 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -127.78 89.66 2.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.205 0.526 . . . . 0.0 111.514 -177.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -128.23 -9.93 3.56 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.771 174.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.5 m -77.25 105.37 8.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.735 0.302 . . . . 0.0 110.301 178.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.586 ' HE2' ' O ' ' A' ' 84' ' ' TYR . 30.7 mttp -101.7 133.01 47.08 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.741 -177.466 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.565 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 58.4 m -141.01 148.56 40.47 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.44 -178.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.482 HG11 HD11 ' A' ' 61' ' ' ILE . 60.1 t -123.71 137.06 58.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.17 -178.085 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.4 mt -67.52 108.86 1.33 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.356 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 176.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.489 HG21 HG22 ' A' ' 36' ' ' THR . 57.5 t -109.53 -36.46 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.805 0.336 . . . . 0.0 111.02 -179.49 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.533 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 20.5 t0 -139.82 143.34 36.77 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.46 179.288 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.411 HG23 HG12 ' A' ' 33' ' ' VAL . 70.0 mt -113.74 115.66 50.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.028 0.442 . . . . 0.0 110.483 -177.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.423 ' N ' HD12 ' A' ' 28' ' ' ILE . 3.7 mp -96.81 -63.89 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.964 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -107.56 -159.1 0.68 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -179.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -80.06 -57.43 3.63 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.024 0.44 . . . . 0.0 110.738 -178.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.573 HD21 ' HB2' ' A' ' 52' ' ' LEU . 24.0 t-20 -94.93 -34.12 12.52 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-O 121.282 0.563 . . . . 0.0 109.854 179.067 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -84.63 104.29 14.49 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.76 -176.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.411 HG12 HG23 ' A' ' 27' ' ' ILE . 29.1 m -119.29 170.84 8.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.729 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.533 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . 56.2 tp -100.23 115.83 30.8 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 178.517 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.565 ' HB ' ' HB3' ' A' ' 22' ' ' CYS . 35.2 m -112.54 150.76 14.64 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.891 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 176.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.489 HG22 HG21 ' A' ' 25' ' ' VAL . 14.8 t -151.18 144.86 25.03 Favored 'General case' 0 C--N 1.312 -1.023 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.787 179.428 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.485 ' HA3' ' HB ' ' A' ' 44' ' ' VAL . . . -112.45 146.8 18.25 Favored Glycine 0 N--CA 1.441 -1.0 0 N-CA-C 109.866 -1.293 . . . . 0.0 109.866 171.352 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -49.02 122.65 8.68 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.959 2.439 . . . . 0.0 112.608 -175.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.0 ptmm? -71.22 -21.27 62.16 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.035 0.445 . . . . 0.0 110.647 -176.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -84.72 -33.88 23.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.665 -178.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.4 mt -130.26 107.52 14.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.127 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.529 ' OG1' ' HA ' ' A' ' 86' ' ' LYS . 7.9 m 71.7 86.06 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 O-C-N 123.862 0.726 . . . . 0.0 110.196 -175.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.21 77.24 0.58 Allowed Glycine 0 N--CA 1.453 -0.196 0 CA-C-N 115.652 -0.704 . . . . 0.0 113.708 -172.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.485 ' HB ' ' HA3' ' A' ' 37' ' ' GLY . 42.9 t -82.73 -23.96 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.096 0.474 . . . . 0.0 109.906 174.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 36' ' ' THR . 95.5 mttt 66.72 -161.93 0.24 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.371 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 46' ' ' ARG . 16.3 ptt180 -122.87 135.22 54.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.29 -179.508 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -169.51 161.22 9.56 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -95.65 123.91 39.43 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 176.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.1 m -139.26 22.85 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 111.546 0.202 . . . . 0.0 111.546 -175.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.512 ' HB2' ' OD1' ' A' ' 31' ' ' ASN . 8.1 p30 52.51 175.14 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.784 1.234 . . . . 0.0 112.577 -174.635 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 11.5 pt -119.23 -11.99 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 N-CA-C 112.354 0.502 . . . . 0.0 112.354 -177.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.573 ' HB2' HD21 ' A' ' 31' ' ' ASN . 3.5 tt -67.57 -45.53 75.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.978 0.418 . . . . 0.0 110.217 -176.536 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.408 ' C ' HD12 ' A' ' 54' ' ' LEU . 40.3 m-70 -94.34 26.74 3.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.161 0.505 . . . . 0.0 111.335 -177.385 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 50' ' ' ASN . 8.1 mp -124.79 136.89 54.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.443 -0.799 . . . . 0.0 108.9 170.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -109.96 128.99 24.43 Favored Pre-proline 0 C--N 1.318 -0.801 0 CA-C-O 120.833 0.349 . . . . 0.0 110.266 -176.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.549 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 87.7 Cg_endo -80.65 160.08 21.94 Favored 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 122.969 2.446 . . . . 0.0 113.263 -174.286 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 59.3 p -92.95 178.93 5.6 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.18 175.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -79.25 -4.58 51.38 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.914 0.388 . . . . 0.0 110.808 178.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -106.69 149.1 27.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.179 0.514 . . . . 0.0 111.176 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.1 ttpp -141.23 154.11 45.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.167 -0.924 . . . . 0.0 108.809 176.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.482 HD11 HG11 ' A' ' 23' ' ' VAL . 21.2 pt -116.66 157.53 17.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 174.25 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.91 46.6 1.12 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.177 0.513 . . . . 0.0 110.638 -174.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.7 pp -73.38 175.51 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.226 178.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -96.88 146.99 24.42 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.417 -176.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.524 ' HB2' HG11 ' A' ' 6' ' ' VAL . 7.7 ttpm? -65.65 112.95 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 177.181 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.23 37.77 5.85 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.23 -177.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.2 163.21 23.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.722 0.296 . . . . 0.0 110.466 176.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.436 ' O ' HG23 ' A' ' 72' ' ' VAL . 48.1 p -95.77 166.97 11.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.162 -178.339 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.453 ' O ' ' HG3' ' A' ' 73' ' ' LYS . 10.8 t70 -56.66 -35.07 67.98 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.739 176.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.47 ' HA ' ' NZ ' ' A' ' 73' ' ' LYS . 3.7 tp10 -64.69 -51.05 64.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.103 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.615 ' HA ' ' HD3' ' A' ' 74' ' ' LYS . 31.7 tp10 -59.4 -42.71 92.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.422 -178.018 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 68' ' ' SER . 97.7 t -60.8 -45.05 98.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.428 -179.315 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.47 ' NZ ' ' HA ' ' A' ' 70' ' ' GLU . 34.0 mtmm -65.89 -37.29 85.73 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 120.543 0.211 . . . . 0.0 111.263 -178.09 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.615 ' HD3' ' HA ' ' A' ' 71' ' ' GLU . 45.0 mtpt -60.29 -56.78 17.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.583 0.706 . . . . 0.0 110.284 177.331 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.444 ' HD3' ' HA ' ' A' ' 75' ' ' LYS . 26.3 mmtp -62.75 -32.13 73.21 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.909 -1.042 . . . . 0.0 111.604 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.4 HD12 ' HB3' ' A' ' 81' ' ' LEU . 41.2 tp -65.68 -41.2 92.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.896 0.379 . . . . 0.0 110.158 176.559 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.66 -40.51 92.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.062 179.053 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -59.79 -36.74 77.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.502 178.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.1 m -87.7 -10.51 50.97 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.754 0.311 . . . . 0.0 111.234 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 63.35 24.8 14.37 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.809 0.814 . . . . 0.0 110.375 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.4 ' HB3' HD12 ' A' ' 76' ' ' LEU . 21.6 tp -90.47 8.77 32.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.481 -175.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.6 m -55.81 -39.95 72.06 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.529 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -57.66 -51.88 67.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.132 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.586 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 13.4 t80 -67.12 -29.96 69.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.152 -172.581 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 19.7 mmt -72.32 -39.94 67.84 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 120.898 0.38 . . . . 0.0 111.188 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.529 ' HA ' ' OG1' ' A' ' 42' ' ' THR . 88.9 tttt -76.49 -58.31 3.35 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.594 -175.485 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -101.61 130.05 47.86 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.105 0.479 . . . . 0.0 111.419 -170.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -165.22 -165.13 0.83 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.07 177.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 51.4 mt -50.11 144.29 1.84 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.887 -174.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -59.16 113.47 2.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.04 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.429 HG23 ' HG3' ' A' ' 93' ' ' MET . 10.2 tt -113.04 137.23 46.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.08 176.38 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.42 ' O ' ' HD3' ' A' ' 94' ' ' PRO . 6.2 ptt180 -76.3 85.23 3.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.367 0.603 . . . . 0.0 111.237 -178.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.429 ' HG3' HG23 ' A' ' 91' ' ' ILE . 88.7 mtp -90.73 106.34 15.1 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.238 173.696 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 92' ' ' ARG . 27.4 Cg_exo -61.68 126.91 20.14 Favored 'Trans proline' 0 C--O 1.236 0.396 0 C-N-CA 122.684 2.256 . . . . 0.0 112.48 -176.522 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.5 m -78.48 68.17 4.42 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 175.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' A' ' 96' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.038 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 -177.253 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.483 1.21 0 CA-C-O 120.649 0.262 . . . . 0.0 110.744 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -70.03 103.98 1.29 Allowed 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 122.456 2.104 . . . . 0.0 111.453 177.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -155.51 169.76 23.54 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.069 -177.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 39.9 mm 55.5 60.32 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-O 121.84 0.828 . . . . 0.0 110.226 -176.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.406 ' HG2' ' H ' ' A' ' 6' ' ' VAL . 13.2 tt0 -176.37 -167.33 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 177.544 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.56 HG12 ' HA ' ' A' ' 25' ' ' VAL . 33.8 m -69.67 148.3 11.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.214 0.531 . . . . 0.0 111.596 -177.31 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.559 ' O ' ' HB2' ' A' ' 60' ' ' LYS . . . 94.7 -33.43 5.35 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.78 -0.724 . . . . 0.0 113.413 173.182 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.439 HH21 ' HA ' ' A' ' 58' ' ' ASP . 6.2 tpt180 -84.16 113.82 21.34 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.854 0.327 . . . . 0.0 110.599 -176.08 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.723 HG12 ' HA ' ' A' ' 60' ' ' LYS . 51.1 mm -71.7 125.81 30.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.32 -179.559 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 56' ' ' PRO . 56.5 m -123.59 146.71 47.95 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.202 -177.484 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.4 p -112.35 141.03 29.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.061 0.458 . . . . 0.0 110.999 -177.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.964 ' HD3' ' HB2' ' A' ' 20' ' ' SER . 50.6 mtpt -70.24 125.68 27.48 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.343 178.455 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.462 HG22 ' HA ' ' A' ' 54' ' ' LEU . 14.9 m -116.72 49.6 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.498 0.666 . . . . 0.0 111.745 -174.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -86.4 118.03 25.58 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 176.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.31 -75.16 2.36 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.797 -0.716 . . . . 0.0 111.581 -177.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 61.0 mtm-85 -137.82 -76.87 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 174.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -142.79 124.74 15.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.895 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.643 ' HB3' ' HB2' ' A' ' 12' ' ' LYS . . . -101.25 134.53 44.17 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.976 0.417 . . . . 0.0 110.515 178.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.442 ' HA3' ' H ' ' A' ' 89' ' ' ILE . . . -79.43 42.82 2.45 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.8 -0.637 . . . . 0.0 112.517 -177.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.964 ' HB2' ' HD3' ' A' ' 12' ' ' LYS . 5.9 m -130.35 113.66 14.63 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 178.272 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.489 ' NZ ' ' HB3' ' A' ' 87' ' ' GLU . 8.9 mptt -102.62 138.66 39.23 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 175.536 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 83.4 m -140.77 159.95 41.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.731 0.3 . . . . 0.0 110.652 -176.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.3 t -120.0 140.57 43.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.345 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 59.0 mt -93.18 131.45 40.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 175.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.56 ' HA ' HG12 ' A' ' 6' ' ' VAL . 11.8 m -122.08 -37.4 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -177.391 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.498 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 43.3 t0 -127.1 126.8 43.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.171 0.51 . . . . 0.0 110.751 -176.173 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.6 mm -95.06 102.28 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.542 -178.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 41.0 mm -79.86 -43.8 22.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.434 0.635 . . . . 0.0 110.316 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.503 ' CG ' ' H ' ' A' ' 30' ' ' ASP . 28.7 t70 -150.94 -172.18 4.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.202 -0.908 . . . . 0.0 108.885 -178.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.503 ' H ' ' CG ' ' A' ' 29' ' ' ASP . 4.3 m-20 -88.24 -19.83 26.3 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 120.923 0.392 . . . . 0.0 110.232 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -106.04 -32.69 8.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.561 175.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.428 ' HA ' ' HA ' ' A' ' 50' ' ' ASN . 97.1 m-85 -110.02 134.18 52.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.027 -177.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.8 m -136.9 173.95 12.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.735 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.498 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . 5.9 tt -109.92 115.47 29.86 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 173.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 30.8 m -106.82 149.5 10.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.668 -178.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.2 t -125.91 138.93 53.81 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.584 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.56 ' HA3' ' HB ' ' A' ' 44' ' ' VAL . . . -107.78 160.28 14.03 Favored Glycine 0 N--CA 1.441 -0.974 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 175.637 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.77 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 50.9 Cg_endo -72.4 95.91 0.79 Allowed 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 122.436 2.091 . . . . 0.0 112.387 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.505 ' O ' ' HE3' ' A' ' 73' ' ' LYS . 14.8 tmtt? -75.9 144.31 41.21 Favored 'General case' 0 N--CA 1.436 -1.159 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 177.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.494 ' HB2' ' O ' ' A' ' 39' ' ' LYS . 17.4 m-20 77.42 -27.66 0.17 Allowed 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.559 -1.201 . . . . 0.0 111.305 -173.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.77 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 75.3 mt -82.92 -59.77 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.745 0.307 . . . . 0.0 110.227 177.317 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.489 ' OG1' ' HG2' ' A' ' 38' ' ' PRO . 23.5 p -111.92 -54.71 2.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.995 0.426 . . . . 0.0 110.35 175.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.71 14.31 4.8 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.55 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.56 ' HB ' ' HA3' ' A' ' 37' ' ' GLY . 60.9 t -66.32 126.05 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.759 0.314 . . . . 0.0 110.801 178.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -78.24 158.14 29.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.065 -177.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 -125.65 132.71 52.4 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.543 -171.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.73 -178.89 2.34 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.174 175.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -80.02 131.74 35.85 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.712 0.291 . . . . 0.0 110.726 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.481 HG22 ' H ' ' A' ' 50' ' ' ASN . 8.9 p -157.56 172.09 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 -177.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.481 ' H ' HG22 ' A' ' 49' ' ' VAL . 26.4 p-10 -72.11 -177.04 1.94 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.837 0.351 . . . . 0.0 111.02 179.062 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.455 ' O ' HD22 ' A' ' 54' ' ' LEU . 23.5 pt -58.99 -22.03 20.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -177.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 43.5 tp 72.4 -11.32 0.83 Allowed 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 172.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 83.6 t60 67.77 83.0 0.17 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.757 0.789 . . . . 0.0 110.206 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.472 ' H ' HD23 ' A' ' 54' ' ' LEU . 1.4 pt? -137.19 164.55 28.22 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.179 -178.285 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.481 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 43.7 mt-10 -125.5 134.76 26.12 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.791 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 55' ' ' GLU . 6.7 Cg_exo -73.21 142.98 34.81 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.879 2.386 . . . . 0.0 112.411 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 40.6 p -99.89 177.24 5.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.64 176.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.439 ' HA ' HH21 ' A' ' 8' ' ' ARG . 0.6 OUTLIER -80.3 -38.85 29.93 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.908 -179.472 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -75.99 134.28 40.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.25 0.547 . . . . 0.0 109.878 178.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.723 ' HA ' HG12 ' A' ' 9' ' ' ILE . 17.6 pttp -148.33 -167.75 2.9 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.861 -176.233 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.407 HG13 ' HA2' ' A' ' 7' ' ' GLY . 20.2 pt -120.17 -170.39 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 175.666 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.49 ' HB3' ' HE2' ' A' ' 75' ' ' LYS . 25.0 t70 -141.04 94.87 2.76 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -177.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.9 pt -136.45 175.61 9.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.163 -174.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -94.73 145.27 24.98 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.778 177.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.558 ' HA ' HG11 ' A' ' 6' ' ' VAL . 33.5 ttpt -69.18 112.06 5.53 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.128 0.49 . . . . 0.0 110.499 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 114.75 1.73 22.72 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.843 -175.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.75 145.11 35.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.976 0.417 . . . . 0.0 111.861 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.1 m -92.03 175.76 6.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.918 -179.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -56.82 -40.51 76.13 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.189 -0.46 . . . . 0.0 112.146 -175.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 0.8 OUTLIER -56.52 -49.47 74.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.122 0.487 . . . . 0.0 110.094 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -66.39 -40.97 90.0 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.905 -178.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.55 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 93.1 t -62.28 -48.59 87.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.325 177.011 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.505 ' HE3' ' O ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -55.69 -45.17 77.86 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.708 -178.802 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' A' ' 70' ' ' GLU . 32.7 mmtp -62.62 -47.04 85.47 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.465 -179.503 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.49 ' HE2' ' HB3' ' A' ' 62' ' ' ASP . 30.7 tptt -67.06 -33.73 76.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.95 -177.135 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 88.6 mt -60.89 -41.9 96.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.969 174.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -67.96 -46.39 71.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.711 178.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -53.76 -45.17 70.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.412 178.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.1 m -81.65 -7.61 59.61 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.343 -177.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.5 t30 60.55 26.48 16.14 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.773 0.797 . . . . 0.0 109.339 -175.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.52 HD21 HG13 ' A' ' 9' ' ' ILE . 43.7 tp -74.75 -19.31 60.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.2 -176.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.9 m -51.95 -35.14 45.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.177 178.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -61.29 -51.49 68.66 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.396 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.477 ' CZ ' ' HE2' ' A' ' 21' ' ' LYS . 53.9 t80 -78.28 -32.52 49.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.935 -179.143 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 12.6 ttt -72.7 -22.82 60.83 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.659 0.266 . . . . 0.0 111.347 -174.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -85.7 0.31 53.1 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.289 0.566 . . . . 0.0 110.205 178.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.489 ' HB3' ' NZ ' ' A' ' 21' ' ' LYS . 29.0 tt0 -64.99 111.37 2.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.288 0.566 . . . . 0.0 110.085 177.251 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.435 ' HB2' HD12 ' A' ' 91' ' ' ILE . 50.4 pttt -106.93 123.97 48.94 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.748 -171.326 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.442 ' H ' ' HA3' ' A' ' 19' ' ' GLY . 4.6 mp -127.29 133.66 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.887 177.28 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.446 ' HE2' ' HB3' ' A' ' 90' ' ' LYS . 15.1 mtpt 58.02 35.48 25.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.045 -177.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.435 HD12 ' HB2' ' A' ' 88' ' ' LYS . 61.8 mt -108.79 99.09 7.93 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 115.291 -0.868 . . . . 0.0 108.937 174.209 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -138.05 146.97 43.65 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.512 -174.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -96.17 145.5 29.67 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.99 177.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -75.59 -154.58 0.04 OUTLIER 'Trans proline' 0 N--CA 1.464 -0.249 0 C-N-CA 122.913 2.409 . . . . 0.0 111.169 174.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.5 t -55.85 115.5 2.42 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 121.32 0.581 . . . . 0.0 110.566 176.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 44.7 tp . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.31 -0.852 . . . . 0.0 109.883 -178.596 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.8 ttt . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 120.683 0.277 . . . . 0.0 110.672 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -65.12 152.05 83.58 Favored 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 122.528 2.152 . . . . 0.0 111.323 174.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 70.52 172.19 0.31 Allowed 'General case' 0 C--O 1.236 0.358 0 O-C-N 123.786 0.679 . . . . 0.0 111.455 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.466 HG13 HD13 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -116.44 134.08 61.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.953 -179.209 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.531 ' HA ' HD11 ' A' ' 27' ' ' ILE . 26.4 tt0 -154.09 175.4 13.48 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 177.288 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.595 HG21 ' HA ' ' A' ' 65' ' ' LYS . 7.9 p -56.65 133.01 21.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.237 0.541 . . . . 0.0 111.369 -179.074 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.09 -4.52 67.78 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.483 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.557 ' HB3' HD12 ' A' ' 24' ' ' ILE . 24.1 tpt85 -79.56 101.21 8.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.838 0.351 . . . . 0.0 110.548 -178.417 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.607 HG12 HG22 ' A' ' 23' ' ' VAL . 58.6 mt -69.12 128.7 33.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.009 176.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.619 ' HA ' ' HA ' ' A' ' 56' ' ' PRO . 39.8 m -132.63 151.22 52.01 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.031 -178.283 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.5 p -118.67 151.28 20.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.108 0.48 . . . . 0.0 110.982 -175.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 48.9 mmtm -78.67 95.35 5.25 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 174.357 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.5 p -63.91 -45.84 95.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.047 -175.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.3 tmmm? -126.47 134.17 51.01 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 138.07 -45.15 1.07 Allowed Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.806 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.7 tpm_? -136.94 16.87 3.04 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.942 0.401 . . . . 0.0 110.344 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 60.07 56.02 3.52 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.039 177.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.58 -163.27 0.27 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.499 177.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 81.73 -38.95 2.51 Favored Glycine 0 CA--C 1.518 0.243 0 CA-C-N 115.421 -0.809 . . . . 0.0 112.516 177.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.5 m -79.28 95.75 5.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.063 0.458 . . . . 0.0 110.328 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -105.56 137.37 43.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.289 -177.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 33.0 m -133.95 151.78 51.61 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.15 -177.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.607 HG22 HG12 ' A' ' 9' ' ' ILE . 46.5 t -110.08 130.24 63.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.517 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.557 HD12 ' HB3' ' A' ' 8' ' ' ARG . 63.0 mt -70.13 112.96 5.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.743 174.562 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.3 m -109.2 -30.17 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -177.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.572 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 18.2 t70 -139.32 118.45 12.65 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.946 0.403 . . . . 0.0 110.62 -179.136 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.531 HD11 ' HA ' ' A' ' 5' ' ' GLU . 53.4 mt -85.29 96.5 4.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.898 178.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 52.9 mt -74.66 -62.59 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.561 ' HB2' ' HB3' ' A' ' 32' ' ' PHE . 2.2 m-20 -125.31 -167.49 1.69 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.566 177.293 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -79.55 -31.77 42.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.612 0.244 . . . . 0.0 111.467 -178.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.4 ' O ' HG13 ' A' ' 51' ' ' ILE . 13.2 t-20 -117.4 -25.78 6.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.991 0.424 . . . . 0.0 110.707 177.694 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.561 ' HB3' ' HB2' ' A' ' 29' ' ' ASP . 25.0 t80 -89.51 120.6 30.97 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 176.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.44 HG22 ' N ' ' A' ' 34' ' ' LEU . 11.4 p -139.54 162.21 26.76 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 CA-C-O 121.34 0.591 . . . . 0.0 111.328 -172.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.572 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . 60.3 tp -109.65 116.82 32.45 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.264 177.527 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.407 HG12 ' HA ' ' A' ' 24' ' ' ILE . 31.2 m -121.63 151.37 25.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.041 0.448 . . . . 0.0 110.968 -177.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.3 t -148.57 166.85 27.01 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 175.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.534 ' HA3' ' HB ' ' A' ' 44' ' ' VAL . . . -139.14 116.69 1.27 Allowed Glycine 0 N--CA 1.44 -1.055 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 177.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.759 ' HG2' HD12 ' A' ' 76' ' ' LEU . 26.4 Cg_exo -30.87 111.89 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 124.345 3.363 . . . . 0.0 113.264 -176.458 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.855 ' HA ' ' HA2' ' A' ' 43' ' ' GLY . 59.9 mttp -78.88 0.79 25.84 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.069 -170.174 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.791 ' HB3' ' HD2' ' A' ' 73' ' ' LYS . 18.3 t70 -99.92 -15.98 18.15 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.7 0.762 . . . . 0.0 109.61 171.028 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.594 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 72.6 mt -102.75 -63.05 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.025 -176.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.486 HG23 HG23 ' A' ' 44' ' ' VAL . 9.5 t -115.86 -31.35 5.8 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.988 0.423 . . . . 0.0 110.739 -177.273 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.855 ' HA2' ' HA ' ' A' ' 39' ' ' LYS . . . 81.48 65.73 1.65 Allowed Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.725 177.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.534 ' HB ' ' HA3' ' A' ' 37' ' ' GLY . 90.0 t -111.98 119.31 59.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 175.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.705 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 24.8 mtpp -71.25 153.21 42.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.951 -178.048 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -70.38 124.29 23.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.109 0.481 . . . . 0.0 110.405 -178.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -148.75 142.41 25.5 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.076 -178.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 59.5 mtm180 -87.82 114.12 24.13 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 178.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.4 t -122.44 143.83 33.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.768 -173.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -83.78 135.09 34.67 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.933 174.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.466 HD13 HG13 ' A' ' 4' ' ' ILE . 52.2 mt -67.02 -8.98 8.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.366 0.603 . . . . 0.0 110.699 -178.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 38.9 tp -63.52 -11.94 28.2 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.379 177.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -130.83 27.39 4.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.732 0.301 . . . . 0.0 110.485 177.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 30.8 tp -137.15 126.4 24.72 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.922 -175.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -121.77 136.47 26.13 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 120.893 0.378 . . . . 0.0 110.314 178.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.619 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 90.1 Cg_endo -77.67 158.4 31.92 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.87 2.38 . . . . 0.0 113.704 -174.237 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.562 HG22 ' H ' ' A' ' 58' ' ' ASP . 0.9 OUTLIER -86.66 -175.4 5.41 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 175.461 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.562 ' H ' HG22 ' A' ' 57' ' ' THR . 5.4 m-20 -53.44 -74.58 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -176.198 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -105.6 167.33 9.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.297 0.57 . . . . 0.0 112.25 -172.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -112.37 141.02 46.61 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.512 -178.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.6 pt -86.37 142.79 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 176.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -93.09 93.07 8.1 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.156 0.503 . . . . 0.0 111.235 -173.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 34.8 pt -115.29 179.54 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.888 176.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -97.19 140.62 31.42 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.461 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.595 ' HA ' HG21 ' A' ' 6' ' ' VAL . 1.7 tmmt? -61.5 126.44 27.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.523 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.61 49.24 3.95 Favored Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -175.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -99.39 153.25 19.14 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.881 0.372 . . . . 0.0 111.123 -176.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.9 p -92.9 171.12 9.17 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.404 178.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.453 ' OD1' ' HA ' ' A' ' 38' ' ' PRO . 7.7 t70 -60.88 -35.57 76.96 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -63.38 -47.84 80.35 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.085 176.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -58.19 -51.08 71.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.673 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 44.6 t -62.87 -39.28 84.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.477 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.791 ' HD2' ' HB3' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -62.3 -47.11 85.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.209 179.028 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt -64.29 -42.31 96.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.203 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.75 -43.42 88.98 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.824 0.345 . . . . 0.0 110.512 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.759 HD12 ' HG2' ' A' ' 38' ' ' PRO . 21.4 mt -64.0 -33.24 75.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.373 178.328 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -76.38 -40.97 49.59 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.984 0.421 . . . . 0.0 110.081 178.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -59.41 -49.88 76.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.316 177.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.1 m -76.1 -8.34 56.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.387 178.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 62.36 21.32 12.46 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.152 177.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 30.2 tp -83.32 -7.23 59.62 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.3 t -53.66 -32.78 52.89 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.547 173.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -57.96 -51.52 69.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.487 177.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -71.6 -22.03 61.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.726 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 11.3 tpt -71.21 -31.29 67.42 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 177.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.68 -37.56 30.55 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 120.884 0.373 . . . . 0.0 110.347 174.52 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.33 128.02 34.32 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.068 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.512 ' NZ ' ' HB2' ' A' ' 88' ' ' LYS . 4.1 ttmp? 59.21 92.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.254 -178.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.622 HG12 ' H ' ' A' ' 90' ' ' LYS . 13.7 tt -132.42 175.05 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.421 -169.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.622 ' H ' HG12 ' A' ' 89' ' ' ILE . 57.3 pttt -62.49 134.13 55.96 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 123.203 0.601 . . . . 0.0 111.786 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.5 mp -100.8 117.85 46.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 173.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 44.4 ttt-85 -113.36 91.25 3.58 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 121.001 -0.279 . . . . 0.0 110.681 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.4 mpt? 65.32 171.99 0.09 OUTLIER Pre-proline 0 CA--C 1.534 0.331 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.987 179.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -77.23 13.3 1.58 Allowed 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.459 2.106 . . . . 0.0 112.077 174.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 26.1 p -95.27 80.32 3.55 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.159 -179.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.504 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 1.6 pt? . . . . . 0 C--O 1.25 1.096 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.036 177.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.51 ' SD ' ' HD2' ' A' ' 2' ' ' PRO . 51.1 tpp . . . . . 0 N--CA 1.479 1.004 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.51 ' HD2' ' SD ' ' A' ' 1' ' ' MET . 50.4 Cg_exo -54.01 106.21 0.16 Allowed 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.71 2.274 . . . . 0.0 112.106 177.143 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -130.81 171.49 13.08 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.885 -178.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.1 mm 65.01 95.25 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 O-C-N 123.944 0.777 . . . . 0.0 110.125 -177.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.445 ' HB3' ' HB2' ' A' ' 8' ' ' ARG . 12.2 tp10 -91.28 140.34 29.88 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.224 -174.493 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.3 m -64.35 109.92 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.626 0.727 . . . . 0.0 110.968 -178.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.97 -1.01 62.84 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.26 -0.882 . . . . 0.0 113.174 178.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.544 ' HA ' ' HA ' ' A' ' 60' ' ' LYS . 27.3 ttt180 -85.05 116.97 23.73 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 118.002 0.901 . . . . 0.0 109.938 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 64.2 mt -68.34 131.23 33.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.436 -175.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 56' ' ' PRO . 57.0 m -120.09 157.87 28.05 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.591 -176.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.6 p -126.14 145.58 33.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 177.086 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.58 ' HB2' ' HA ' ' A' ' 18' ' ' ALA . 1.6 mptm? -66.74 132.66 48.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.157 -177.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.6 m -121.9 -18.02 5.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.542 177.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -149.72 135.42 18.53 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.206 0.527 . . . . 0.0 110.871 -177.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.449 ' O ' ' HB2' ' A' ' 16' ' ' ARG . . . 135.71 8.31 1.71 Allowed Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.462 -0.875 . . . . 0.0 112.73 178.555 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' A' ' 15' ' ' GLY . 79.4 mtm180 76.4 -37.07 0.28 Allowed 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.376 0.67 . . . . 0.0 111.872 178.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -97.14 107.69 20.27 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 172.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.58 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . . . -133.79 30.05 3.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.087 0.47 . . . . 0.0 110.501 -175.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.557 ' HA2' ' HB ' ' A' ' 89' ' ' ILE . . . -110.48 40.65 2.48 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.554 -0.832 . . . . 0.0 112.311 -175.259 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.3 p -158.49 145.02 17.3 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.139 0.495 . . . . 0.0 111.926 -177.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -101.17 145.04 29.32 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 171.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.577 ' SG ' ' HE3' ' A' ' 12' ' ' LYS . 63.0 m -145.47 156.33 43.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.629 0.252 . . . . 0.0 111.137 -176.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.3 p -125.21 148.14 29.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 177.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.78 HG13 HG12 ' A' ' 35' ' ' VAL . 4.2 mp -91.58 122.58 43.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.7 m -96.32 -28.45 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -177.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.527 ' OD2' ' HG2' ' A' ' 65' ' ' LYS . 14.8 t70 -155.23 138.46 15.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.912 0.387 . . . . 0.0 110.632 -179.614 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.474 ' HB ' ' HE2' ' A' ' 65' ' ' LYS . 43.6 mm -86.44 105.96 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.426 175.693 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.3 mm -76.87 -57.91 5.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.94 0.4 . . . . 0.0 110.63 -176.074 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -136.3 -172.32 3.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.591 -178.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -63.76 -37.22 86.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.504 179.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.441 ' O ' ' HA ' ' A' ' 50' ' ' ASN . 50.0 t30 -111.63 -30.0 7.51 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.927 -177.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -92.98 123.98 36.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.172 0.51 . . . . 0.0 111.691 -177.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.0 m -126.78 152.26 34.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.013 176.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 tt -96.8 116.11 28.58 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.78 HG12 HG13 ' A' ' 24' ' ' ILE . 35.0 m -114.79 151.6 16.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.692 -178.219 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.491 ' HB ' ' HA ' ' A' ' 46' ' ' ARG . 7.2 t -167.71 171.18 10.33 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.727 178.057 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.56 169.59 20.71 Favored Glycine 0 N--CA 1.441 -0.991 0 N-CA-C 110.029 -1.229 . . . . 0.0 110.029 172.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -67.01 95.95 0.37 Allowed 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.924 1.749 . . . . 0.0 110.883 175.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.594 ' HA ' ' O ' ' A' ' 42' ' ' THR . 3.8 ptpp? -74.84 1.98 11.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.521 0.676 . . . . 0.0 111.053 -173.104 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.552 ' HB3' ' HD3' ' A' ' 73' ' ' LYS . 38.4 t70 -91.57 -12.57 33.99 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.891 173.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.602 HG23 ' HD2' ' A' ' 86' ' ' LYS . 2.5 mp -120.48 -53.97 3.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.274 179.142 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.594 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 5.8 m -114.18 152.24 31.51 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.892 -177.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.88 52.65 4.49 Favored Glycine 0 CA--C 1.518 0.236 0 C-N-CA 120.779 -0.724 . . . . 0.0 113.124 -176.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.0 t -115.27 126.52 72.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 179.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.488 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 98.9 mttt -113.51 170.44 8.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.014 -175.384 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.491 ' HA ' ' HB ' ' A' ' 36' ' ' THR . 0.0 OUTLIER -84.59 136.35 33.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.292 0.568 . . . . 0.0 112.395 -171.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.8 mtt180 -153.43 149.26 27.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.126 175.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -97.81 115.56 28.28 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.06 0.457 . . . . 0.0 110.016 174.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.3 m -125.69 177.91 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.959 -175.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.441 ' HA ' ' O ' ' A' ' 31' ' ' ASN . 26.1 p-10 -96.45 152.48 18.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.319 178.207 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.401 ' H ' HG12 ' A' ' 51' ' ' ILE . 12.2 pt -79.05 78.41 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.402 0.62 . . . . 0.0 111.755 -178.068 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 29.5 tp -164.09 35.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.761 179.079 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -136.78 -37.09 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -176.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.507 HD13 ' N ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -126.22 155.07 42.4 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.214 0.53 . . . . 0.0 112.099 -173.747 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -124.56 140.97 36.56 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.707 174.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.415 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 39.4 Cg_endo -66.47 152.59 80.51 Favored 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 122.927 2.418 . . . . 0.0 113.501 -174.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 67.7 p -92.52 -165.94 1.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.859 175.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -81.07 -21.24 40.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.81 0.338 . . . . 0.0 110.956 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -96.73 146.13 25.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.559 0.695 . . . . 0.0 112.576 -172.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.544 ' HA ' ' HA ' ' A' ' 8' ' ' ARG . 16.4 ttpt -138.14 122.53 18.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.583 175.638 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.6 pt -88.84 111.64 22.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 172.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.468 ' HA ' ' HE3' ' A' ' 60' ' ' LYS . 18.4 t70 -66.33 102.57 0.88 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.435 -172.047 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.7 pt -125.75 -174.24 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.335 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -118.29 150.87 38.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.939 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.527 ' HG2' ' OD2' ' A' ' 26' ' ' ASP . 63.1 tttm -55.39 109.72 0.59 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.099 0.476 . . . . 0.0 110.596 178.704 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.53 50.52 0.97 Allowed Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 111.623 -0.591 . . . . 0.0 111.623 -177.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.71 -174.75 2.98 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.744 0.307 . . . . 0.0 110.686 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.1 m -150.63 179.33 8.27 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.544 ' OD2' ' HG2' ' A' ' 39' ' ' LYS . 2.6 m-20 -52.79 -41.17 63.87 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -175.544 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -56.86 -52.09 66.49 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 120.906 0.384 . . . . 0.0 110.583 -178.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -58.28 -47.1 84.71 Favored 'General case' 0 N--CA 1.439 -0.975 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.654 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 89.9 t -55.69 -50.9 64.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.479 178.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.552 ' HD3' ' HB3' ' A' ' 40' ' ' ASP . 40.7 mtmt -64.44 -39.38 93.72 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.174 0.512 . . . . 0.0 110.283 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -56.19 -46.1 79.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.488 178.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -77.71 -31.98 52.67 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.232 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.4 HD21 ' HA ' ' A' ' 82' ' ' THR . 32.8 tp -66.19 -38.77 88.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.454 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -62.02 -47.82 83.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.715 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -59.04 -45.7 90.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.997 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.3 m -76.32 -21.54 56.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.831 -176.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 55.81 58.25 4.6 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.983 0.897 . . . . 0.0 109.636 -174.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.568 HD13 ' O ' ' A' ' 81' ' ' LEU . 0.9 OUTLIER -114.28 8.2 16.68 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.152 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.4 ' HA ' HD21 ' A' ' 76' ' ' LEU . 1.7 m -55.08 -45.95 75.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.662 -1.154 . . . . 0.0 112.299 -174.254 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -67.47 -36.16 80.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.797 0.332 . . . . 0.0 111.642 -176.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -77.35 -28.31 52.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.056 0.455 . . . . 0.0 110.718 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.32 -41.24 28.43 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.907 0.384 . . . . 0.0 110.027 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.602 ' HD2' HG23 ' A' ' 41' ' ' ILE . 82.5 tttt -73.65 -6.54 47.35 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.494 0.664 . . . . 0.0 110.523 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -66.09 118.06 9.31 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.684 176.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -72.68 143.89 47.93 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.482 178.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.557 ' HB ' ' HA2' ' A' ' 19' ' ' GLY . 36.3 mm -108.6 153.29 10.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 177.027 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.509 ' HE3' ' HB2' ' A' ' 90' ' ' LYS . 20.6 ttmt -80.66 158.08 25.74 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.682 -0.235 . . . . 0.0 110.702 -173.631 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.405 ' HB ' ' O ' ' A' ' 90' ' ' LYS . 44.2 mm 71.58 79.91 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.384 0 CA-C-O 122.047 0.927 . . . . 0.0 111.336 -179.024 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -161.61 141.96 10.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.536 -1.211 . . . . 0.0 109.326 176.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.5 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 1.2 pmm? -79.02 125.76 83.21 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 120.934 0.397 . . . . 0.0 110.309 179.312 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.5 ' HD3' ' HA ' ' A' ' 93' ' ' MET . 3.9 Cg_exo -81.03 13.78 2.27 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 123.202 2.601 . . . . 0.0 111.894 179.51 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.7 t -157.72 138.54 13.15 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.011 -178.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.5 pp . . . . . 0 C--O 1.248 0.982 0 CA-C-O 119.073 -0.489 . . . . 0.0 109.862 178.33 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mpp? . . . . . 0 N--CA 1.478 0.94 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -67.89 102.6 0.78 Allowed 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.088 1.859 . . . . 0.0 112.024 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -165.58 120.28 1.25 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.138 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.4 mm 60.78 85.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-O 121.634 0.73 . . . . 0.0 109.587 -172.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.433 ' CG ' ' HB2' ' A' ' 8' ' ' ARG . 15.5 pt-20 -143.98 164.0 31.85 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.907 -175.497 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.454 ' HA ' ' O ' ' A' ' 24' ' ' ILE . 17.4 m -73.61 126.65 34.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.154 0.502 . . . . 0.0 110.352 177.228 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.479 ' HA3' HG12 ' A' ' 63' ' ' ILE . . . 98.7 -4.52 59.61 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.637 -0.792 . . . . 0.0 113.067 178.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.433 ' HB2' ' CG ' ' A' ' 5' ' ' GLU . 13.0 ttt180 -97.13 111.18 23.53 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.236 -0.586 . . . . 0.0 109.884 178.464 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.714 HG13 HG22 ' A' ' 23' ' ' VAL . 3.7 mp -68.55 110.15 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.331 -178.569 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 55.5 m -103.39 141.25 36.28 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 -178.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.501 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 5.6 p -149.19 136.72 13.79 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.419 -176.527 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.636 ' HA ' ' HB1' ' A' ' 18' ' ' ALA . 0.1 OUTLIER 50.99 174.58 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 125.058 1.343 . . . . 0.0 114.527 176.775 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.481 ' C ' ' HD2' ' A' ' 14' ' ' LYS . 47.0 t -120.47 -78.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 114.905 -1.043 . . . . 0.0 108.326 172.608 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.481 ' HD2' ' C ' ' A' ' 13' ' ' VAL . 10.8 mptt -125.48 23.37 7.51 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.441 0.639 . . . . 0.0 109.865 173.536 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.82 -145.14 19.21 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.208 -0.906 . . . . 0.0 111.705 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.511 ' H ' HD12 ' A' ' 91' ' ' ILE . 0.2 OUTLIER 69.43 -74.15 0.08 Allowed 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.42 0.688 . . . . 0.0 111.488 175.749 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -119.03 24.79 10.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.476 0.655 . . . . 0.0 110.442 -174.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.636 ' HB1' ' HA ' ' A' ' 12' ' ' LYS . . . -148.56 113.01 5.3 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.997 -179.266 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -139.21 17.68 3.14 Favored Glycine 0 N--CA 1.453 -0.176 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.557 175.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.7 m -118.36 141.89 48.08 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 -175.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.639 ' HD2' ' SD ' ' A' ' 85' ' ' MET . 35.1 mttp -92.33 141.85 28.09 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.152 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.546 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 32.2 m -133.64 143.11 48.39 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.174 0.512 . . . . 0.0 110.079 176.487 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.714 HG22 HG13 ' A' ' 9' ' ' ILE . 42.1 t -108.08 121.29 60.85 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.311 -179.052 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.454 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 61.4 mt -74.95 104.49 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 174.746 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.9 m -101.71 -22.16 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.732 -175.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.604 ' HA ' ' HG3' ' A' ' 65' ' ' LYS . 2.8 t0 -147.85 162.29 39.55 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 -178.301 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.1 mm -121.58 111.75 32.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.286 -176.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.571 HG21 ' HD3' ' A' ' 48' ' ' ARG . 38.2 mm -90.5 -53.89 8.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.072 0.463 . . . . 0.0 109.975 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.546 ' HB2' ' H ' ' A' ' 32' ' ' PHE . 15.2 m-20 -128.75 -176.52 3.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.213 176.289 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -85.73 -3.26 58.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.538 0.685 . . . . 0.0 109.481 175.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -118.66 -50.07 2.43 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.02 176.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.546 ' H ' ' HB2' ' A' ' 29' ' ' ASP . 92.5 m-85 -88.88 106.66 18.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.825 179.463 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.7 m -102.16 158.74 4.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.01 176.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 tt -94.39 114.4 26.43 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.546 ' HB ' ' HB3' ' A' ' 22' ' ' CYS . 29.5 m -114.29 146.98 18.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.403 -179.23 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.4 t -149.92 153.74 37.15 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.107 177.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.41 137.16 11.57 Favored Glycine 0 N--CA 1.441 -1.015 0 N-CA-C 110.416 -1.074 . . . . 0.0 110.416 174.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.841 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 99.2 Cg_exo -43.99 123.66 4.25 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 123.212 2.608 . . . . 0.0 111.976 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -46.68 -50.15 18.23 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -170.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -92.72 -31.62 15.01 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.875 0.369 . . . . 0.0 111.497 -175.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.841 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 68.6 mt -79.13 -40.89 22.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.833 -174.131 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.5 m -124.41 -45.95 1.92 Allowed 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.951 -0.3 . . . . 0.0 111.377 -175.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.12 61.03 3.88 Favored Glycine 0 CA--C 1.521 0.446 0 C-N-CA 121.05 -0.595 . . . . 0.0 113.054 178.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.7 t -111.2 128.21 67.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 122.618 -0.343 . . . . 0.0 110.496 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -66.55 142.8 57.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.261 -179.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.556 ' HD2' ' N ' ' A' ' 46' ' ' ARG . 1.5 mpt_? -99.04 133.4 43.37 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.758 0.313 . . . . 0.0 111.052 -173.483 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -169.99 169.41 8.13 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 177.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.571 ' HD3' HG21 ' A' ' 28' ' ' ILE . 74.6 mtt180 -78.85 106.27 10.75 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 177.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.8 t -112.15 144.82 19.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 120.847 0.356 . . . . 0.0 110.867 -173.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -64.16 146.13 54.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.654 178.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.2 pt -73.53 16.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.948 178.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 35.7 tp -112.94 5.44 17.3 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.219 0.533 . . . . 0.0 110.126 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 36.3 t60 -92.86 -16.64 25.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.735 -177.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -153.33 159.13 42.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.181 -179.078 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.424 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 46.0 mt-10 -116.32 148.45 41.68 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.417 179.446 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 55' ' ' GLU . 16.8 Cg_exo -66.31 138.94 52.88 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.822 2.348 . . . . 0.0 111.918 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 64.2 p -92.69 -172.57 3.08 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.248 0.547 . . . . 0.0 111.882 -176.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -76.43 -22.86 54.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.88 -177.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 50.4 mttm -125.67 151.75 46.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.121 0.486 . . . . 0.0 111.505 -171.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.41 ' HB3' ' HG3' ' A' ' 8' ' ' ARG . 18.1 ptmt -139.59 153.62 47.42 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.195 178.464 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.416 ' O ' HG13 ' A' ' 61' ' ' ILE . 35.1 pt -107.52 113.16 42.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 168.688 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -71.12 99.7 1.9 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.404 0.621 . . . . 0.0 111.397 -171.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.479 HG12 ' HA3' ' A' ' 7' ' ' GLY . 37.1 pt -123.8 -171.09 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.828 177.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -112.39 169.35 8.94 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.708 177.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.604 ' HG3' ' HA ' ' A' ' 26' ' ' ASP . 28.3 ttpp -73.05 127.25 32.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.142 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.03 24.25 7.73 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.633 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.11 143.39 32.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.769 0.319 . . . . 0.0 110.711 177.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.44 ' O ' HG23 ' A' ' 72' ' ' VAL . 46.2 p -103.65 172.75 6.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.294 -177.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.539 ' OD2' ' HA ' ' A' ' 38' ' ' PRO . 15.9 t70 -53.75 -32.89 53.94 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.548 177.431 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -58.65 -51.82 68.32 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.398 -178.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -71.31 -34.33 70.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.309 -177.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 68' ' ' SER . 85.0 t -58.56 -40.8 80.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.271 177.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.754 ' HE3' ' HB3' ' A' ' 38' ' ' PRO . 1.5 mptm? -64.63 -34.43 78.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.309 178.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.481 ' O ' ' HG3' ' A' ' 78' ' ' GLU . 4.5 tmtt? -77.54 -43.48 31.79 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.814 0.34 . . . . 0.0 110.575 -177.3 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.484 ' HB2' ' HE2' ' A' ' 75' ' ' LYS . 18.3 ttmm -78.93 -24.25 44.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.319 -175.496 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 22.3 tp -63.79 -37.49 87.56 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 173.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.479 ' HB3' ' O ' ' A' ' 74' ' ' LYS . 28.6 tt0 -60.51 -51.49 69.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.529 173.637 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 41.9 mt-10 -56.92 -41.3 77.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.29 -178.355 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.9 m -79.41 -11.49 59.91 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.523 -178.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 57.74 45.74 18.33 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.664 0.745 . . . . 0.0 109.84 -178.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 22.4 tp -119.14 11.53 12.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.027 -176.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.4 m -54.48 -54.24 43.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.006 -0.997 . . . . 0.0 112.449 -173.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -66.67 -43.69 83.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.188 0.518 . . . . 0.0 110.976 -175.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -61.09 -31.86 71.53 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.725 -177.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.639 ' SD ' ' HD2' ' A' ' 21' ' ' LYS . 14.0 tpt -75.1 -36.63 61.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.779 179.635 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -62.22 -42.86 99.69 Favored 'General case' 0 C--O 1.236 0.363 0 O-C-N 123.493 0.496 . . . . 0.0 110.9 -179.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -63.06 131.67 49.35 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.995 -178.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 53.6 mttp -106.59 151.51 24.94 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.303 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 53.5 mt -91.72 137.77 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.177 0.513 . . . . 0.0 110.857 -174.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.428 ' HE3' ' HB2' ' A' ' 90' ' ' LYS . 24.5 mtmt -138.7 143.09 38.97 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.941 -179.298 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.511 HD12 ' H ' ' A' ' 16' ' ' ARG . 63.9 mt -123.61 123.04 66.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 177.42 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.648 ' HG2' ' H ' ' A' ' 93' ' ' MET . 18.8 ttm180 70.43 -153.93 0.12 Allowed 'General case' 0 CA--C 1.534 0.355 0 O-C-N 123.854 0.721 . . . . 0.0 109.226 -178.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.736 ' HB3' ' HD2' ' A' ' 94' ' ' PRO . 67.5 mtt -134.95 173.07 6.2 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 -176.299 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.736 ' HD2' ' HB3' ' A' ' 93' ' ' MET . 1.3 Cg_endo -46.41 -28.93 6.5 Favored 'Trans proline' 0 C--N 1.357 0.979 0 C-N-CA 123.497 2.798 . . . . 0.0 113.204 177.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 91.5 m -85.89 105.46 16.39 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 170.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.428 HD13 ' NH1' ' A' ' 92' ' ' ARG . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.521 -0.752 . . . . 0.0 110.486 -172.398 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.479 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 1.9 mpt? . . . . . 0 N--CA 1.479 1.018 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 5.2 Cg_exo -79.72 152.72 22.67 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 123.173 2.582 . . . . 0.0 112.244 -179.398 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.486 ' O ' ' HB ' ' A' ' 4' ' ' ILE . . . -81.41 114.64 20.3 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.929 175.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.486 ' HB ' ' O ' ' A' ' 3' ' ' ALA . 97.5 mt 74.5 110.92 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 O-C-N 124.039 0.837 . . . . 0.0 110.611 -177.517 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -152.71 168.31 26.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.202 -173.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.5 HG11 ' HA ' ' A' ' 65' ' ' LYS . 16.2 m -69.15 137.38 24.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.045 0.45 . . . . 0.0 111.218 -179.219 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.65 -13.13 59.39 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.659 -0.701 . . . . 0.0 112.822 177.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -86.3 136.15 33.26 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.911 0.386 . . . . 0.0 110.003 -177.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.595 HG12 HG22 ' A' ' 23' ' ' VAL . 63.8 mt -79.92 129.34 37.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.962 -176.645 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.426 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 2.2 p -112.58 133.17 54.76 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.095 0.474 . . . . 0.0 110.105 175.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.5 p -101.45 143.63 14.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.366 -178.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.506 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 38.2 ttmt -75.49 103.25 5.54 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.774 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.5 m -88.02 7.97 2.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.02 0.438 . . . . 0.0 111.027 -178.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -69.44 145.4 52.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.872 177.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.93 146.23 35.92 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.961 -0.563 . . . . 0.0 113.672 -177.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 74.21 -5.49 2.06 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.046 0.938 . . . . 0.0 111.542 175.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -139.72 30.75 2.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.735 -0.212 . . . . 0.0 110.914 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.506 ' HA ' ' O ' ' A' ' 12' ' ' LYS . . . -76.04 36.46 0.14 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.08 0.466 . . . . 0.0 111.927 -176.426 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.482 ' CA ' ' HB ' ' A' ' 89' ' ' ILE . . . -144.64 11.14 1.94 Allowed Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.742 177.704 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.6 t -94.43 136.01 35.21 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -177.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -119.33 148.95 42.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.006 0.432 . . . . 0.0 111.537 -174.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.6 p -153.6 155.66 36.53 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.029 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.595 HG22 HG12 ' A' ' 9' ' ' ILE . 46.0 t -111.48 134.53 53.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.394 0.14 . . . . 0.0 110.644 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.6 mt -77.16 96.93 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 174.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.561 ' HB ' ' HB3' ' A' ' 67' ' ' ALA . 29.9 m -96.53 -29.87 3.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.899 -173.083 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.555 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 16.9 t0 -140.9 128.5 21.44 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.123 0.487 . . . . 0.0 110.779 -175.382 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.8 mt -113.34 108.44 25.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.581 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.467 ' H ' HD12 ' A' ' 28' ' ' ILE . 4.0 mp -89.84 -59.81 2.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 -177.137 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.693 ' HB2' ' HB2' ' A' ' 32' ' ' PHE . 3.0 m-20 -107.81 -172.72 2.12 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.513 177.544 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -77.15 -32.64 56.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.922 0.391 . . . . 0.0 110.676 -176.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -112.38 -31.12 6.93 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.059 177.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.693 ' HB2' ' HB2' ' A' ' 29' ' ' ASP . 96.0 m-85 -80.57 103.78 10.65 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.987 0.423 . . . . 0.0 110.286 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.2 m -125.3 153.49 32.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.946 -176.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.555 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . 50.5 tp -98.08 116.17 29.74 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.202 178.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.529 ' O ' ' HB3' ' A' ' 46' ' ' ARG . 35.6 m -116.99 147.67 20.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.198 176.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.482 ' HA ' ' HB3' ' A' ' 46' ' ' ARG . 12.1 t -166.44 168.48 14.8 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -179.278 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -107.76 -165.54 21.61 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 174.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -74.63 153.12 43.51 Favored 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 122.772 2.314 . . . . 0.0 112.248 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.434 ' O ' ' HB3' ' A' ' 40' ' ' ASP . 5.2 ttpm? -90.92 129.54 36.94 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.373 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.434 ' HB3' ' O ' ' A' ' 39' ' ' LYS . 25.1 t70 76.05 -54.19 0.61 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.535 -1.212 . . . . 0.0 110.686 -177.549 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 62.0 mt -69.07 117.17 11.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 172.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.451 HG22 HG23 ' A' ' 44' ' ' VAL . 26.2 m 72.87 -51.12 0.71 Allowed 'General case' 0 CA--C 1.536 0.413 0 O-C-N 123.725 0.641 . . . . 0.0 110.21 -173.134 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.92 56.1 2.98 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 121.258 -0.496 . . . . 0.0 112.947 173.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.451 HG23 HG22 ' A' ' 42' ' ' THR . 49.7 t -131.64 92.06 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.745 0.307 . . . . 0.0 110.934 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.412 ' HA ' ' OG1' ' A' ' 36' ' ' THR . 64.9 tttp -94.69 106.82 18.82 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 174.542 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.592 ' HE ' HG11 ' A' ' 49' ' ' VAL . 16.1 tpt180 -102.96 149.18 24.78 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.518 -175.382 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -87.59 176.86 7.25 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.656 178.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 48' ' ' ARG . 5.5 ptp180 -68.49 126.68 30.4 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 170.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.592 HG11 ' HE ' ' A' ' 46' ' ' ARG . 17.9 m -128.72 2.79 2.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 112.816 0.672 . . . . 0.0 112.816 -169.452 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.9 t30 69.22 150.93 0.08 Allowed 'General case' 0 CA--C 1.537 0.472 0 O-C-N 123.805 0.691 . . . . 0.0 110.816 -178.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.477 HD13 HD13 ' A' ' 4' ' ' ILE . 60.3 mt -77.43 85.32 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.327 0.584 . . . . 0.0 110.398 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.8 mt -105.21 -74.01 0.66 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.292 177.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -118.95 51.27 1.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.751 0.31 . . . . 0.0 110.876 -175.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.426 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 96.0 mt -128.24 126.86 41.74 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.486 -179.202 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -112.27 133.85 21.65 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.561 176.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -69.23 133.12 25.73 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.556 2.171 . . . . 0.0 111.524 175.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 62.7 p -97.75 -179.31 4.4 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.374 -177.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -64.69 -27.5 68.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.567 177.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.517 ' N ' ' HD2' ' A' ' 59' ' ' LYS . 3.7 mptp? -87.96 135.49 33.38 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.568 0.699 . . . . 0.0 111.072 -174.161 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -153.21 130.74 11.44 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.194 -177.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 31.1 pt -90.69 128.15 42.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 172.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -72.81 107.8 5.43 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.101 0.477 . . . . 0.0 109.862 -177.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.634 HD11 ' HG2' ' A' ' 71' ' ' GLU . 15.8 tt -149.6 169.65 2.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.843 -174.504 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -94.96 172.39 8.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.037 0.446 . . . . 0.0 111.54 -177.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.5 ' HA ' HG11 ' A' ' 6' ' ' VAL . 33.9 ttpt -75.34 126.22 30.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.304 -176.268 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.14 53.98 2.69 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.504 178.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.561 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . . . -71.12 150.85 45.05 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.267 0.556 . . . . 0.0 111.875 -175.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.5 ' O ' HG23 ' A' ' 72' ' ' VAL . 5.9 p -107.04 160.26 15.68 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.208 178.054 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -48.92 -52.2 25.94 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.473 0.483 . . . . 0.0 111.624 -176.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -62.3 -40.72 97.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.584 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.634 ' HG2' HD11 ' A' ' 63' ' ' ILE . 41.8 tt0 -66.25 -39.88 89.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.742 -178.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 68' ' ' SER . 88.3 t -61.52 -43.58 97.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.03 0.443 . . . . 0.0 110.084 176.318 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.434 ' HB3' ' HZ3' ' A' ' 73' ' ' LYS . 5.5 ttpm? -61.63 -37.07 82.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.365 178.578 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.416 ' O ' ' HB3' ' A' ' 77' ' ' GLU . 45.8 tttm -66.75 -46.7 74.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.905 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.435 ' HG2' ' HB ' ' A' ' 63' ' ' ILE . 5.5 mptp? -66.33 -29.21 69.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.053 178.538 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 44.0 tp -64.15 -35.27 80.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.709 174.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.416 ' HB3' ' O ' ' A' ' 74' ' ' LYS . 37.9 tt0 -70.35 -51.64 28.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.599 175.216 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -52.65 -40.59 62.97 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.735 -178.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.3 m -89.96 -16.24 30.31 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.244 -178.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.7 t30 47.06 68.03 0.7 Allowed 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.811 0.815 . . . . 0.0 109.782 -170.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.47 ' HG ' ' HB3' ' A' ' 84' ' ' TYR . 15.2 tp -115.13 18.66 16.15 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.113 -0.948 . . . . 0.0 110.037 -174.64 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.1 m -57.12 -53.29 59.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.899 -175.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.52 -32.02 73.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.78 -177.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.47 ' HB3' ' HG ' ' A' ' 81' ' ' LEU . 84.2 t80 -68.09 -28.6 67.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.144 -177.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 11.2 mmt -94.98 -15.31 23.64 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.697 0.284 . . . . 0.0 111.009 177.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -78.94 -43.16 25.22 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.556 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -77.02 151.22 35.67 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 120.859 0.361 . . . . 0.0 110.164 177.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -101.42 165.19 11.39 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.005 0.431 . . . . 0.0 110.784 -178.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.482 ' HB ' ' CA ' ' A' ' 19' ' ' GLY . 53.9 mt -109.39 139.55 31.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 173.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.429 ' HA ' ' HD3' ' A' ' 90' ' ' LYS . 73.7 mmtt 67.11 176.55 0.24 Allowed 'General case' 0 C--N 1.33 -0.241 0 O-C-N 123.613 0.571 . . . . 0.0 111.033 -174.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 10.8 tp 43.52 34.95 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 124.121 0.968 . . . . 0.0 111.828 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 38.7 ttt180 -106.88 91.26 3.59 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.36 -0.837 . . . . 0.0 108.91 -178.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.699 ' HB2' ' HB2' ' A' ' 96' ' ' LEU . 90.8 mmm -106.6 149.63 38.61 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.426 -170.199 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -70.32 128.64 15.79 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 122.584 2.189 . . . . 0.0 111.111 172.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.0 m 77.77 -11.69 1.17 Allowed 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.096 0.559 . . . . 0.0 110.971 -178.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.699 ' HB2' ' HB2' ' A' ' 93' ' ' MET . 92.5 mt . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.879 -0.581 . . . . 0.0 109.633 178.047 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.424 ' HA ' ' HD2' ' A' ' 2' ' ' PRO . 16.6 tpt . . . . . 0 N--CA 1.477 0.903 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 1' ' ' MET . 22.4 Cg_endo -63.36 124.13 13.3 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.033 1.822 . . . . 0.0 111.027 174.336 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 70.31 177.92 0.26 Allowed 'General case' 0 N--CA 1.457 -0.075 0 O-C-N 123.915 0.759 . . . . 0.0 110.492 -175.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.636 HD11 HG11 ' A' ' 33' ' ' VAL . 9.2 tp 38.99 60.76 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-O 122.608 1.194 . . . . 0.0 111.433 -176.144 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.52 ' HG3' ' HB2' ' A' ' 8' ' ' ARG . 15.5 pt-20 -126.36 164.23 21.54 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.435 -1.257 . . . . 0.0 109.924 -176.43 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.7 m -68.25 132.2 32.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.991 0.424 . . . . 0.0 110.662 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.13 9.99 83.29 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.79 177.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.655 ' HD2' ' HB2' ' A' ' 60' ' ' LYS . 5.9 tpt180 -88.75 126.66 35.44 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 177.547 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 mp -77.84 126.76 38.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 178.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.437 ' SG ' HD21 ' A' ' 54' ' ' LEU . 5.7 p -121.79 153.23 38.58 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.451 -178.756 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.2 p -120.78 150.84 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.698 -176.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.618 ' HB2' ' HB3' ' A' ' 18' ' ' ALA . 31.1 mmmt -75.75 111.54 11.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.554 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.8 t -103.51 46.48 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.866 0.841 . . . . 0.0 109.877 -178.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -99.35 129.86 45.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.696 178.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.62 -58.64 4.84 Favored Glycine 0 N--CA 1.451 -0.354 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -174.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.7 tpt180 -169.34 -59.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 175.239 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -157.86 125.12 5.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.274 174.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.618 ' HB3' ' HB2' ' A' ' 12' ' ' LYS . . . -116.2 132.32 56.7 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 176.61 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.68 34.1 1.2 Allowed Glycine 0 CA--C 1.519 0.339 0 C-N-CA 121.287 -0.482 . . . . 0.0 113.809 -175.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.524 ' HB2' ' HG3' ' A' ' 12' ' ' LYS . 17.7 m -103.15 114.14 28.19 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 175.544 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.456 ' N ' ' HD2' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -104.61 143.78 32.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.353 -177.092 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.487 ' SG ' HG11 ' A' ' 44' ' ' VAL . 72.8 m -138.54 156.2 47.72 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.893 177.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 62.1 t -106.21 127.86 61.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 177.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.572 ' HA ' HG12 ' A' ' 35' ' ' VAL . 60.9 mt -69.42 118.6 14.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 178.301 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.414 HG22 ' HB3' ' A' ' 67' ' ' ALA . 66.0 t -111.25 -49.71 6.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.469 -176.466 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.473 ' HA ' ' HE3' ' A' ' 65' ' ' LYS . 14.8 t70 -130.89 121.81 25.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.903 0.383 . . . . 0.0 111.571 -175.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.419 ' N ' HD12 ' A' ' 27' ' ' ILE . 3.4 mp -88.62 95.11 5.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 174.537 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.443 HD11 ' HB2' ' A' ' 34' ' ' LEU . 43.1 mt -72.36 -52.09 25.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.512 -177.288 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -138.36 177.38 7.92 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.581 -175.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -72.36 -25.37 61.5 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.715 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.465 ' O ' ' HA ' ' A' ' 50' ' ' ASN . 17.5 m120 -107.24 -43.27 4.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.943 -179.424 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -102.07 132.29 48.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.73 0.3 . . . . 0.0 111.403 -177.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.636 HG11 HD11 ' A' ' 4' ' ' ILE . 18.1 m -134.76 167.21 26.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.704 177.424 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.443 ' HB2' HD11 ' A' ' 28' ' ' ILE . 4.7 tt -111.39 116.06 30.32 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.224 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.572 HG12 ' HA ' ' A' ' 24' ' ' ILE . 28.9 m -117.41 139.75 43.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.438 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.423 ' HA ' ' HB3' ' A' ' 46' ' ' ARG . 23.7 m -111.17 122.4 47.77 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.193 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -99.24 158.42 19.99 Favored Glycine 0 N--CA 1.443 -0.9 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 177.285 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.477 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 24.1 Cg_exo -63.96 105.37 0.55 Allowed 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.346 2.031 . . . . 0.0 111.071 177.16 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -77.97 -33.57 51.4 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.345 0.593 . . . . 0.0 110.13 -174.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -83.45 -31.79 26.39 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.678 -179.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.584 HG13 ' HE3' ' A' ' 73' ' ' LYS . 64.6 mt -87.21 -75.14 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.929 0.395 . . . . 0.0 111.293 -179.211 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.448 ' H ' ' HB2' ' A' ' 38' ' ' PRO . 2.2 m -75.45 -42.74 52.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 -175.172 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.34 11.08 20.78 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 121.164 -0.541 . . . . 0.0 111.902 -177.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.487 HG11 ' SG ' ' A' ' 22' ' ' CYS . 22.1 t -90.97 148.31 4.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.711 0.291 . . . . 0.0 110.39 -178.627 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -117.42 154.32 31.57 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.473 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 7.6 ppt_? -71.72 126.69 30.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.041 0.448 . . . . 0.0 110.907 179.742 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 54.6 mtp85 -142.21 176.45 8.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.77 -175.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -98.36 109.55 22.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.638 177.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.2 p -127.78 156.33 39.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.226 -176.169 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.465 ' HA ' ' O ' ' A' ' 31' ' ' ASN . 10.5 p30 -91.92 143.97 25.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.854 0.359 . . . . 0.0 110.345 178.076 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.6 mt -68.16 -17.91 22.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.085 -177.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.4 tp -69.43 -10.26 57.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.561 -175.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -128.53 18.56 6.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.986 0.422 . . . . 0.0 110.6 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.437 HD21 ' SG ' ' A' ' 10' ' ' CYS . 39.0 tp -137.92 126.68 23.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.373 -176.214 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -115.37 123.93 30.85 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 120.888 0.375 . . . . 0.0 111.715 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.445 ' HB3' ' HG2' ' A' ' 8' ' ' ARG . 22.7 Cg_exo -66.01 127.69 18.19 Favored 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 123.0 2.467 . . . . 0.0 111.006 170.67 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 67.0 p -79.33 -174.21 4.07 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.347 0.594 . . . . 0.0 111.376 -175.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -72.38 -26.89 62.06 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.008 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -93.91 153.42 18.24 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.344 0.593 . . . . 0.0 111.821 -174.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.655 ' HB2' ' HD2' ' A' ' 8' ' ' ARG . 26.5 tttp -153.35 154.72 35.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.937 -175.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.604 ' N ' ' HG2' ' A' ' 60' ' ' LYS . 26.9 pt -116.12 132.73 64.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 171.513 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -87.48 102.46 14.59 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 -176.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.437 ' CG2' ' HG2' ' A' ' 75' ' ' LYS . 34.2 pt -136.15 -178.66 2.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.738 -174.07 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.58 169.1 10.59 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 172.385 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.473 ' HE3' ' HA ' ' A' ' 26' ' ' ASP . 87.6 tttt -77.81 106.21 9.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.123 0.487 . . . . 0.0 110.672 -179.24 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 146.27 63.34 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.414 ' HB3' HG22 ' A' ' 25' ' ' VAL . . . -97.59 140.02 32.63 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.953 0.406 . . . . 0.0 111.138 -175.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.475 ' O ' HG23 ' A' ' 72' ' ' VAL . 43.5 p -127.34 175.92 7.82 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.348 176.478 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.465 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 15.5 t70 -57.31 -39.49 75.9 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.425 0.631 . . . . 0.0 109.422 177.173 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -63.16 -51.03 68.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.954 178.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.429 ' HB3' ' H ' ' A' ' 68' ' ' SER . 8.3 tp10 -60.89 -42.43 97.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.563 -179.324 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 68' ' ' SER . 71.6 t -59.04 -44.87 92.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.292 176.803 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.584 ' HE3' HG13 ' A' ' 41' ' ' ILE . 1.5 mptm? -51.91 -48.92 63.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.177 0.513 . . . . 0.0 111.107 176.269 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.425 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 94.4 mttt -69.38 -40.03 77.65 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.73 -175.096 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.437 ' HG2' ' CG2' ' A' ' 63' ' ' ILE . 13.7 mptt -71.98 -32.21 67.02 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.829 0.347 . . . . 0.0 111.159 177.342 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.516 HD21 ' HG3' ' A' ' 85' ' ' MET . 5.2 mp -68.44 -30.07 68.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.12 173.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 74' ' ' LYS . 33.9 mm-40 -66.52 -36.27 82.29 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.677 173.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -70.6 -49.73 44.68 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.201 179.23 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.1 m -90.58 -10.96 41.49 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -173.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 61.01 26.87 16.79 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.058 0.456 . . . . 0.0 110.549 -177.035 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 33.0 tp -85.25 9.02 16.39 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.525 -176.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.1 m -61.0 -22.11 64.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.541 -178.392 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -68.13 -52.24 37.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.949 0.404 . . . . 0.0 110.754 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -62.22 -34.86 77.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.214 -177.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.516 ' HG3' HD21 ' A' ' 76' ' ' LEU . 98.2 mmm -77.16 -20.39 55.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.795 -175.302 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -99.37 -17.56 17.94 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.794 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -61.82 121.01 11.83 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.262 0.553 . . . . 0.0 110.387 178.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.769 ' HG3' HD12 ' A' ' 91' ' ' ILE . 34.2 ttpt -106.88 109.88 21.9 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.977 -172.752 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.443 HG22 ' HG2' ' A' ' 90' ' ' LYS . 3.9 mp -114.08 138.32 44.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.329 -178.609 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.443 ' HG2' HG22 ' A' ' 89' ' ' ILE . 29.4 mmmt 54.34 38.76 30.09 Favored 'General case' 0 N--CA 1.461 0.112 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 177.461 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.769 HD12 ' HG3' ' A' ' 88' ' ' LYS . 60.7 mt -124.08 87.77 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-O 121.526 0.679 . . . . 0.0 110.36 176.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -159.63 117.7 2.74 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.887 -1.051 . . . . 0.0 108.923 173.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.421 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 26.0 mmt -114.68 134.08 22.45 Favored Pre-proline 0 C--N 1.317 -0.828 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.492 -178.348 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 93' ' ' MET . 38.4 Cg_exo -59.82 97.96 0.11 Allowed 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 122.612 2.208 . . . . 0.0 110.841 175.314 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.7 m -121.72 143.51 49.32 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.899 -172.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.1 tt . . . . . 0 C--O 1.245 0.868 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 174.362 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.481 1.123 0 N-CA-C 110.356 -0.238 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -75.29 104.5 1.91 Allowed 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 122.457 2.105 . . . . 0.0 111.565 176.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -150.52 170.35 19.32 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.62 -178.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.419 ' N ' HD12 ' A' ' 4' ' ' ILE . 4.1 mp -99.76 99.72 9.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.006 0.432 . . . . 0.0 110.06 -178.225 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -117.99 153.06 34.29 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.238 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.2 m -60.6 129.61 23.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.511 0.672 . . . . 0.0 111.019 177.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.406 ' HA3' HG12 ' A' ' 63' ' ' ILE . . . 91.03 -2.11 78.78 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.734 179.502 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.5 ttt180 -91.52 119.45 31.48 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.955 0.407 . . . . 0.0 110.06 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 45.8 mt -68.54 126.66 28.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.905 -176.318 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.481 ' CB ' HD13 ' A' ' 54' ' ' LEU . 51.9 m -130.41 145.26 51.79 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.105 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.583 HG22 ' HG3' ' A' ' 12' ' ' LYS . 7.4 p -150.4 143.41 17.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -173.799 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.583 ' HG3' HG22 ' A' ' 11' ' ' VAL . 0.0 OUTLIER 48.83 173.3 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 116.223 1.935 . . . . 0.0 116.223 169.748 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.7 t -133.12 -65.61 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.219 176.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -115.05 177.68 4.56 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.77 22.6 6.47 Favored Glycine 0 C--O 1.227 -0.327 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.763 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.479 ' HA ' HG23 ' A' ' 91' ' ' ILE . 64.5 ttt180 -146.88 115.23 6.67 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.03 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 72.52 151.35 0.11 Allowed 'General case' 0 N--CA 1.468 0.441 0 O-C-N 124.201 0.938 . . . . 0.0 110.077 -174.449 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.54 95.59 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.281 -176.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -135.4 16.27 4.11 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.115 178.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.419 ' O ' HG23 ' A' ' 11' ' ' VAL . 11.9 p -111.52 150.53 29.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.684 0.278 . . . . 0.0 110.743 -177.215 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.419 ' HG2' ' HB ' ' A' ' 11' ' ' VAL . 44.1 mttp -92.27 145.44 24.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.291 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 63.9 m -140.99 153.0 45.38 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.059 177.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.8 t -122.42 122.34 65.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.556 -178.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.42 ' N ' HD12 ' A' ' 24' ' ' ILE . 3.6 mp -72.51 122.97 26.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 178.424 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.454 ' HB ' HG22 ' A' ' 36' ' ' THR . 14.9 p -106.0 -28.89 2.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.63 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -150.36 133.67 16.35 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.937 0.398 . . . . 0.0 110.562 178.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 69.0 mt -95.7 108.9 21.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.125 -179.457 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.1 mt -97.32 -71.4 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.346 -179.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.639 ' HB2' ' H ' ' A' ' 32' ' ' PHE . 12.0 m-20 -115.36 171.49 7.67 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 178.284 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -79.91 -14.27 58.75 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.654 0.74 . . . . 0.0 109.067 170.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.772 ' O ' ' HA ' ' A' ' 50' ' ' ASN . 17.2 m120 -94.34 -40.82 9.75 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.828 178.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.639 ' H ' ' HB2' ' A' ' 29' ' ' ASP . 98.3 m-85 -139.03 122.18 16.91 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 120.609 0.242 . . . . 0.0 111.095 -177.164 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.7 m -118.04 171.61 6.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 174.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.2 tp -95.37 115.35 27.3 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 177.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.432 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 27.3 m -114.42 148.93 16.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.64 179.086 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.454 HG22 ' HB ' ' A' ' 25' ' ' VAL . 12.8 t -139.74 146.85 40.05 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.028 0.442 . . . . 0.0 110.427 -179.169 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.42 147.73 17.18 Favored Glycine 0 N--CA 1.439 -1.11 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 175.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.719 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 45.6 Cg_exo -56.04 110.6 0.59 Allowed 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 122.338 2.025 . . . . 0.0 111.416 178.504 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -66.15 -28.11 68.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.216 -176.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -83.89 -25.42 30.22 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.024 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.719 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 65.8 mt -98.94 -63.48 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.538 -175.338 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.0 p -92.97 -39.23 11.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.71 0.291 . . . . 0.0 111.05 -177.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.19 63.32 3.67 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.334 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.3 p -108.15 146.89 13.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 120.86 0.362 . . . . 0.0 110.426 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.401 ' HE3' ' HB2' ' A' ' 45' ' ' LYS . 34.6 ttmt -72.71 114.12 10.5 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.759 178.488 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' A' ' 35' ' ' VAL . 46.1 ttp180 -79.98 108.48 13.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.711 -172.457 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -144.4 178.09 8.18 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -95.44 109.71 21.86 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 178.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.1 t -127.37 56.03 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 121.017 0.436 . . . . 0.0 111.632 -168.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.772 ' HA ' ' O ' ' A' ' 31' ' ' ASN . 3.7 m-20 64.67 -175.97 0.17 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.762 -0.653 . . . . 0.0 112.386 175.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 47.1 mt -116.96 -49.71 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.815 174.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 25.6 tp -80.05 34.69 0.3 Allowed 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.603 0.716 . . . . 0.0 110.759 -176.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 -106.98 5.24 27.98 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.446 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.481 HD13 ' CB ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER -154.5 166.33 33.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.836 179.749 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -109.44 136.83 20.19 Favored Pre-proline 0 C--N 1.332 -0.187 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.634 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -74.44 137.57 23.27 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.684 2.256 . . . . 0.0 112.405 178.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 30.9 p -82.5 170.95 14.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.671 178.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -85.74 -47.28 9.91 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 121.108 -0.237 . . . . 0.0 110.904 -178.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -88.15 144.61 26.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.085 0.469 . . . . 0.0 110.42 178.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -131.34 158.49 40.57 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.733 -170.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.3 pt -112.68 106.15 20.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 167.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -80.18 107.84 13.3 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.162 0.506 . . . . 0.0 110.99 -172.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.406 HG12 ' HA3' ' A' ' 7' ' ' GLY . 34.3 pt -113.82 -173.65 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.857 177.642 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -93.83 161.97 14.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.878 0.37 . . . . 0.0 110.589 177.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -79.76 125.51 29.77 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.28 -176.363 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.79 50.4 3.33 Favored Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -174.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.429 ' HB1' ' HB3' ' A' ' 71' ' ' GLU . . . -101.52 -178.57 3.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.977 0.418 . . . . 0.0 111.25 -176.669 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.6 p -147.18 -169.11 3.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.683 -176.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -57.08 -42.54 80.87 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.373 0.421 . . . . 0.0 110.195 -179.025 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.539 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 1.6 mp0 -56.2 -52.56 63.98 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.519 179.695 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.429 ' HB3' ' HB1' ' A' ' 67' ' ' ALA . 3.7 tp10 -64.45 -45.95 85.25 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.944 -178.496 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.499 ' O ' ' HB2' ' A' ' 76' ' ' LEU . 99.6 t -60.78 -41.01 86.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.288 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.8 ttpt -66.75 -38.97 87.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.846 -178.128 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.539 ' HG2' ' O ' ' A' ' 70' ' ' GLU . 33.3 mmtp -58.27 -54.55 45.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.908 0.385 . . . . 0.0 110.547 177.39 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.406 ' HG2' HG22 ' A' ' 63' ' ' ILE . 14.3 mptt -65.39 -39.68 92.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.069 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.499 ' HB2' ' O ' ' A' ' 72' ' ' VAL . 10.4 tp -65.43 -36.42 83.88 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.608 -177.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -70.36 -44.16 68.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.098 0.475 . . . . 0.0 109.948 177.103 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -60.0 -42.64 94.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.704 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.3 t -86.43 -9.66 55.83 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.279 -178.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 58.46 36.95 25.66 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.728 0.775 . . . . 0.0 110.13 -178.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.43 ' HB3' HD12 ' A' ' 76' ' ' LEU . 23.0 tp -104.05 14.59 30.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.425 -174.626 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.44 ' HA ' ' CD2' ' A' ' 76' ' ' LEU . 6.6 m -56.95 -37.63 71.82 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.965 -176.731 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -61.63 -35.26 77.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.992 -177.257 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -61.82 -29.98 70.52 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.207 -177.007 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 14.5 mmt -72.9 -38.95 66.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.16 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -86.72 37.4 0.75 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.179 0.514 . . . . 0.0 110.421 -174.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -130.41 136.91 49.54 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.898 177.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -116.1 150.02 38.04 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.497 -178.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.402 ' N ' HD12 ' A' ' 89' ' ' ILE . 1.8 mp -80.36 145.53 8.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.844 -178.703 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.524 ' HD2' ' N ' ' A' ' 90' ' ' LYS . 11.8 mptt -90.16 96.18 10.55 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.09 -175.418 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.479 HG23 ' HA ' ' A' ' 16' ' ' ARG . 49.5 mm -72.88 99.76 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.873 178.013 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 32.8 ptt180 -78.56 133.46 37.33 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.132 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 24.6 ttt -95.21 111.07 53.63 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.6 -176.02 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -89.32 -177.67 1.58 Allowed 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 122.998 2.465 . . . . 0.0 112.263 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.7 p -85.12 -25.32 27.57 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.305 0.574 . . . . 0.0 110.857 178.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 37.0 tp . . . . . 0 C--O 1.252 1.185 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.183 179.435 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptm . . . . . 0 N--CA 1.481 1.111 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.624 ' HA ' ' OE2' ' A' ' 5' ' ' GLU . 18.3 Cg_exo -66.36 104.47 0.76 Allowed 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 122.258 1.972 . . . . 0.0 111.017 173.264 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.22 64.23 8.22 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.021 -173.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.43 ' N ' HD12 ' A' ' 4' ' ' ILE . 3.5 mp 52.48 82.06 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-O 121.806 0.812 . . . . 0.0 109.655 -175.111 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.624 ' OE2' ' HA ' ' A' ' 2' ' ' PRO . 48.1 mt-10 -120.95 144.39 48.5 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.113 -172.729 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.4 m -58.7 125.97 15.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.095 176.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.451 ' O ' HG12 ' A' ' 61' ' ' ILE . . . 118.7 -20.07 10.22 Favored Glycine 0 N--CA 1.44 -1.036 0 C-N-CA 120.238 -0.982 . . . . 0.0 112.728 -178.248 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.508 ' HB2' ' HB3' ' A' ' 60' ' ' LYS . 62.3 ttt180 -90.85 139.01 31.15 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 119.889 -0.724 . . . . 0.0 110.398 178.101 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 45.0 mt -77.54 145.97 9.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.032 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.1 p -133.39 148.02 51.8 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 174.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.557 HG13 HG13 ' A' ' 13' ' ' VAL . 15.0 p -107.5 143.97 17.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.154 0.502 . . . . 0.0 111.289 -177.698 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -85.1 80.91 9.08 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.557 HG13 HG13 ' A' ' 11' ' ' VAL . 13.0 m -64.25 -41.38 92.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.461 -0.79 . . . . 0.0 112.302 -174.743 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -82.56 42.67 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.089 0.471 . . . . 0.0 111.211 -176.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -103.98 -63.23 0.68 Allowed Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 111.704 -0.558 . . . . 0.0 111.704 176.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -178.53 -67.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 122.894 0.478 . . . . 0.0 109.774 177.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.469 ' HB3' ' HB2' ' A' ' 90' ' ' LYS . 40.0 mt-10 -104.85 -13.25 15.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.82 -178.221 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 64.35 53.72 1.65 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.957 175.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -111.54 -16.95 8.98 Favored Glycine 0 C--O 1.238 0.378 0 C-N-CA 120.404 -0.903 . . . . 0.0 111.783 176.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.6 m -79.75 125.0 29.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.886 0.374 . . . . 0.0 110.249 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -117.81 155.07 30.71 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.152 -177.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 75.3 m -140.58 152.97 45.91 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.854 176.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.3 t -106.95 135.5 45.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.188 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.503 ' HA ' HG12 ' A' ' 35' ' ' VAL . 53.2 mt -70.66 108.78 2.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 176.416 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.1 m -105.16 -25.12 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.722 -175.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -158.64 152.51 23.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.869 0.366 . . . . 0.0 110.713 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.403 HG23 HG12 ' A' ' 33' ' ' VAL . 63.9 mt -110.29 115.31 49.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 177.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 47.0 mm -86.07 -49.64 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.17 -175.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.482 ' CG ' ' H ' ' A' ' 30' ' ' ASP . 13.8 t70 -136.66 -162.85 1.33 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -175.223 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.482 ' H ' ' CG ' ' A' ' 29' ' ' ASP . 11.8 t70 -81.36 -45.24 16.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.712 0.768 . . . . 0.0 109.05 178.052 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.424 ' OD1' ' HB2' ' A' ' 50' ' ' ASN . 31.2 t30 -93.74 -32.31 14.06 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.576 -178.528 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.473 ' HA ' ' HA ' ' A' ' 50' ' ' ASN . 22.8 m-85 -100.39 136.65 39.95 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.577 -176.274 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.403 HG12 HG23 ' A' ' 27' ' ' ILE . 21.6 m -133.01 168.5 24.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.208 178.66 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 46.0 tp -111.91 115.48 29.04 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.247 0.546 . . . . 0.0 109.942 178.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.503 HG12 ' HA ' ' A' ' 24' ' ' ILE . 27.5 m -125.19 149.83 30.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.033 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.8 t -152.18 146.65 25.63 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.492 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -102.51 112.61 4.34 Favored Glycine 0 N--CA 1.444 -0.816 0 N-CA-C 110.231 -1.148 . . . . 0.0 110.231 174.072 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.404 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 48.2 Cg_exo -29.85 114.88 0.05 OUTLIER 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 124.475 3.45 . . . . 0.0 113.337 -174.284 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.565 ' HA ' ' HA2' ' A' ' 43' ' ' GLY . 85.2 tttt -66.91 -34.28 77.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.459 -171.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.589 ' HB3' ' HE2' ' A' ' 73' ' ' LYS . 31.9 t70 -73.09 -21.16 60.81 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.945 -178.619 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.404 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 59.5 mt -106.01 -70.1 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.877 -177.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -86.87 -40.68 14.65 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.965 -176.52 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.565 ' HA2' ' HA ' ' A' ' 39' ' ' LYS . . . 84.64 35.17 14.12 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.981 177.258 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.1 t -90.03 122.89 41.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.782 0.325 . . . . 0.0 110.724 -177.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -73.74 112.04 9.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.804 177.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -71.97 149.94 44.55 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.057 -175.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 47' ' ' ARG . 17.2 mtp180 -139.8 160.66 39.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.666 176.314 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -83.95 108.01 16.67 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 177.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 30.6 m -126.27 178.55 4.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.056 0.455 . . . . 0.0 111.624 -173.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.473 ' HA ' ' HA ' ' A' ' 32' ' ' PHE . 29.6 p-10 -116.14 168.51 10.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.9 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.3 mm -65.26 -29.97 48.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.215 -176.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.0 mp -76.98 30.45 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 -171.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -144.48 5.74 1.24 Allowed 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 178.424 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.8 pp -151.82 162.72 40.58 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -176.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.426 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 11.7 pt-20 -138.54 148.13 57.7 Favored Pre-proline 0 N--CA 1.451 -0.42 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.018 175.397 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 55' ' ' GLU . 14.2 Cg_exo -69.4 146.94 64.02 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.97 2.446 . . . . 0.0 112.77 -179.017 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.3 p -130.68 143.98 51.12 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.461 -179.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.462 ' CG ' ' H ' ' A' ' 59' ' ' LYS . 6.3 t70 55.9 -151.74 0.39 Allowed 'General case' 0 CA--C 1.536 0.417 0 O-C-N 124.054 0.846 . . . . 0.0 111.692 173.202 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.462 ' H ' ' CG ' ' A' ' 58' ' ' ASP . 29.5 mtmm -94.18 166.87 11.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.668 -174.771 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.508 ' HB3' ' HB2' ' A' ' 8' ' ' ARG . 3.4 ptmm? -103.66 154.39 19.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.983 0.421 . . . . 0.0 111.213 178.024 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.451 HG12 ' O ' ' A' ' 7' ' ' GLY . 29.8 pt -96.51 152.32 3.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 169.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -85.15 94.01 8.78 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.167 0.508 . . . . 0.0 111.703 -176.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.536 ' CG2' ' HG3' ' A' ' 75' ' ' LYS . 30.6 pt -134.58 173.47 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.486 174.261 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -121.97 172.36 8.27 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.582 178.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.403 ' HE2' ' H ' ' A' ' 27' ' ' ILE . 60.7 tttm -56.77 123.42 14.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.181 -174.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.94 47.27 1.27 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.33 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -96.07 132.63 41.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.689 -0.301 . . . . 0.0 111.049 -179.228 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.6 m -93.08 171.63 8.82 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.842 179.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -54.21 -50.6 66.74 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 122.726 0.41 . . . . 0.0 111.132 178.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -57.99 -44.85 87.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.804 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.585 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 5.0 tp10 -58.51 -55.81 30.19 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.638 179.062 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 96.3 t -59.84 -39.3 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-O 121.119 0.485 . . . . 0.0 110.634 -179.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.589 ' HE2' ' HB3' ' A' ' 40' ' ' ASP . 33.6 ttmt -56.94 -48.78 77.51 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.955 178.471 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.488 ' O ' ' HB3' ' A' ' 77' ' ' GLU . 9.1 tmtm? -72.65 -36.37 67.96 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.626 -176.442 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.585 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 74.9 mmtt -65.64 -45.7 82.01 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.803 0.335 . . . . 0.0 110.602 177.178 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 39.0 tp -63.09 -30.36 71.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.228 0.537 . . . . 0.0 110.05 177.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.488 ' HB3' ' O ' ' A' ' 74' ' ' LYS . 45.2 tt0 -63.7 -48.14 78.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.354 176.377 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -61.01 -49.38 77.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.205 178.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.4 m -66.71 -27.34 67.55 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 120.832 0.349 . . . . 0.0 110.888 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 65.65 52.9 1.26 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.784 178.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -117.37 22.64 12.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.888 176.29 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.3 m -54.93 -39.59 68.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.801 -177.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -59.52 -43.86 93.32 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.309 -178.015 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -65.12 -34.21 77.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.022 -177.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.71 -51.56 8.54 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.881 -176.472 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -66.31 -41.38 89.8 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.421 -175.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -71.4 128.07 34.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.444 0.64 . . . . 0.0 109.79 179.27 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -94.86 91.84 6.64 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.523 0.677 . . . . 0.0 110.647 -177.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.422 ' H ' HD12 ' A' ' 89' ' ' ILE . 4.7 mp -86.35 133.13 30.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.138 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.469 ' HB2' ' HB3' ' A' ' 17' ' ' GLU . 60.9 pttt -143.65 168.0 20.94 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 120.691 0.281 . . . . 0.0 110.716 -174.374 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 68.3 mt -121.54 126.34 74.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.743 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -150.48 146.83 26.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.067 176.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.447 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 25.9 ptt? -134.65 125.19 17.36 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-O 120.838 0.351 . . . . 0.0 110.465 178.208 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 93' ' ' MET . 6.5 Cg_exo -74.77 124.92 9.09 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.818 2.345 . . . . 0.0 111.373 174.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.6 p -112.38 123.76 50.99 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.103 0.478 . . . . 0.0 111.096 -177.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.68 ' H ' HD23 ' A' ' 96' ' ' LEU . 1.2 pt? . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.391 -0.814 . . . . 0.0 110.051 179.215 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.3 ttm . . . . . 0 N--CA 1.475 0.812 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.86 105.02 0.13 Allowed 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.719 2.279 . . . . 0.0 112.332 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -128.39 120.76 27.59 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.499 179.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.6 mm 58.02 88.39 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.808 178.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.535 ' OE2' ' HD2' ' A' ' 8' ' ' ARG . 0.6 OUTLIER -139.46 177.4 7.96 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.012 176.083 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.444 ' HB ' HD12 ' A' ' 63' ' ' ILE . 6.2 m -72.41 121.91 23.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.32 0.581 . . . . 0.0 111.348 -178.426 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.03 4.14 48.13 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.365 -179.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.535 ' HD2' ' OE2' ' A' ' 5' ' ' GLU . 39.6 ttt85 -83.61 121.77 27.69 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.825 0.345 . . . . 0.0 110.738 -179.409 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.777 HG13 HG22 ' A' ' 23' ' ' VAL . 3.1 mp -81.22 133.08 30.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 175.176 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.4 m -126.21 145.08 50.53 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.896 178.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.0 p -102.68 149.83 6.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.043 0.449 . . . . 0.0 110.189 -179.242 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -76.83 132.75 39.36 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.423 -179.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.4 t -85.48 41.77 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 122.082 0.944 . . . . 0.0 109.37 178.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.5 tttt -87.56 82.02 7.57 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 175.143 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.27 -112.41 4.22 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -172.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -158.44 14.42 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.936 0.398 . . . . 0.0 110.387 174.173 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -133.3 -70.03 0.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 -176.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 70.42 130.01 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.459 0 O-C-N 124.241 0.963 . . . . 0.0 112.626 175.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.83 24.34 31.73 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.462 175.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.3 m -129.02 106.48 8.91 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.004 0.431 . . . . 0.0 110.788 -178.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -103.27 144.31 31.52 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.479 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 61.8 m -139.77 152.79 46.88 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.659 0.266 . . . . 0.0 110.58 -178.053 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.777 HG22 HG13 ' A' ' 9' ' ' ILE . 45.4 t -112.35 132.45 61.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.53 -177.661 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 63.8 mt -78.89 109.82 13.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 175.262 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.2 t -101.87 -27.59 3.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.738 -178.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.415 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 18.2 t0 -138.78 129.98 26.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.148 0.499 . . . . 0.0 111.022 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 57.2 mt -99.56 97.98 6.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.452 -0.795 . . . . 0.0 108.884 175.102 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.4 HD11 ' HB2' ' A' ' 34' ' ' LEU . 24.9 mt -74.92 -57.6 6.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.62 -175.782 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -118.34 -177.31 3.26 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.073 176.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -76.7 -40.21 49.5 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.166 0.507 . . . . 0.0 110.105 178.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -95.19 -14.62 23.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.228 -179.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.611 ' CE2' ' HB3' ' A' ' 48' ' ' ARG . 3.2 t80 -123.91 123.37 40.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.437 -171.691 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.4 m -125.23 169.76 16.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.989 0.423 . . . . 0.0 111.361 -176.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.415 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . 51.3 tp -111.88 116.25 30.34 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.605 177.75 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 31.5 m -112.86 149.13 15.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.35 0.595 . . . . 0.0 110.996 -178.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.6 t -166.67 -177.19 3.81 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.328 -0.851 . . . . 0.0 108.761 177.146 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.96 167.74 30.0 Favored Glycine 0 N--CA 1.441 -1.003 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.682 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 22.8 Cg_exo -63.84 125.33 15.16 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.223 1.949 . . . . 0.0 110.63 175.056 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.486 ' N ' ' HD2' ' A' ' 39' ' ' LYS . 11.5 mptt -77.55 -25.51 50.15 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.216 0.531 . . . . 0.0 110.037 -176.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -83.3 -16.49 46.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.703 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.682 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 64.5 mt -108.34 -51.51 7.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.683 -178.588 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.5 m -112.56 -48.66 3.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.713 0.292 . . . . 0.0 111.109 -174.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.425 ' HA2' ' HA ' ' A' ' 39' ' ' LYS . . . 101.21 22.86 10.15 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.767 -179.578 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.445 ' O ' ' HE3' ' A' ' 39' ' ' LYS . 52.8 t -86.41 123.42 39.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.842 0.353 . . . . 0.0 110.395 178.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -79.95 179.37 7.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.678 -178.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 46' ' ' ARG . 34.4 ttm180 -89.64 126.06 35.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.74 179.175 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 47' ' ' ARG . 14.0 ptm180 -149.38 152.46 35.8 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.246 175.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.611 ' HB3' ' CE2' ' A' ' 32' ' ' PHE . 72.0 mtm180 -90.77 144.43 25.73 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 177.053 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.0 p -152.6 156.96 5.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.894 0.378 . . . . 0.0 110.53 -179.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.43 ' HB2' HD13 ' A' ' 52' ' ' LEU . 31.5 p30 -90.59 161.5 15.4 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.823 176.748 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.9 pt -83.59 5.67 2.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.011 0.434 . . . . 0.0 111.247 179.221 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.43 HD13 ' HB2' ' A' ' 50' ' ' ASN . 8.0 mp -85.47 -10.65 55.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.488 -174.102 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 24.0 t60 -131.81 30.76 4.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.07 0.462 . . . . 0.0 110.631 -178.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.7 mt -129.38 140.75 51.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.042 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -120.4 141.14 31.4 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.116 173.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.431 ' HB3' ' HE ' ' A' ' 8' ' ' ARG . 96.3 Cg_endo -79.43 141.16 15.7 Favored 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 122.589 2.193 . . . . 0.0 112.774 -177.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.6 p -81.68 172.83 12.95 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.403 175.242 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -66.86 -35.4 79.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.039 0.447 . . . . 0.0 110.956 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -120.64 145.42 47.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.562 -173.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.657 ' HA ' HD13 ' A' ' 9' ' ' ILE . 1.0 OUTLIER -141.92 -177.05 5.02 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.246 174.062 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 38.1 pt -122.78 175.58 5.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -124.2 110.72 15.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.668 0.27 . . . . 0.0 110.6 -176.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.444 HD12 ' HB ' ' A' ' 6' ' ' VAL . 2.4 pp -137.92 -179.79 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.486 177.732 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.62 155.39 18.89 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 175.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -59.5 136.32 57.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.047 0.451 . . . . 0.0 110.799 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.56 30.66 12.95 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.05 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.05 141.28 40.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.758 0.313 . . . . 0.0 110.729 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.8 p -84.71 172.18 11.73 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.642 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.434 ' OD2' ' HA ' ' A' ' 38' ' ' PRO . 14.6 t70 -57.05 -36.54 70.63 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.528 0.68 . . . . 0.0 109.543 175.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.553 ' O ' ' HG3' ' A' ' 74' ' ' LYS . 0.8 OUTLIER -75.11 -39.23 60.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.405 -178.649 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -65.49 -46.51 79.44 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.85 0.357 . . . . 0.0 110.505 178.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 86.2 t -61.98 -38.51 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 175.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.658 ' HG3' HD11 ' A' ' 41' ' ' ILE . 34.3 ttmt -60.12 -43.87 95.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.965 177.587 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.553 ' HG3' ' O ' ' A' ' 70' ' ' GLU . 67.6 mttm -56.24 -58.27 8.68 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-O 120.983 0.421 . . . . 0.0 110.565 177.378 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.1 mmtt -66.26 -37.37 85.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.455 -176.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.4 HD23 HD13 ' A' ' 41' ' ' ILE . 25.2 tp -62.18 -41.66 98.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.066 0.46 . . . . 0.0 109.778 178.642 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.62 -47.28 67.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.847 177.321 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -56.41 -48.9 76.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.986 -178.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.0 m -77.06 -6.03 51.14 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.841 0.311 . . . . 0.0 111.841 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 69.35 27.36 5.07 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 122.759 0.424 . . . . 0.0 111.548 177.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 81' ' ' LEU . 3.2 mm? -96.29 0.82 51.37 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.458 -178.747 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.8 m -57.6 -46.03 84.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.579 -177.428 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -62.33 -49.83 74.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.186 0.517 . . . . 0.0 110.424 -177.058 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -68.51 -28.25 66.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.414 -177.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.47 -44.52 51.15 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -70.24 -26.56 63.9 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.103 -178.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -58.59 121.59 11.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.076 -179.219 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.768 ' HD3' ' H ' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -106.79 159.87 15.91 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.295 -178.872 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 47.5 mm -96.59 142.37 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.044 178.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -77.85 128.46 34.02 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.377 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 62.4 mt -78.24 119.97 28.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.084 0.469 . . . . 0.0 110.479 179.281 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -96.98 96.44 8.5 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.452 177.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -61.18 122.59 70.93 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.84 -178.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -58.23 -36.85 97.37 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.245 2.63 . . . . 0.0 112.096 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.1 m 72.22 128.74 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.077 177.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.8 tm? . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.578 -0.725 . . . . 0.0 109.057 174.077 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.9 mtp . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -71.46 103.68 1.46 Allowed 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.305 2.003 . . . . 0.0 112.322 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -125.87 106.77 9.9 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.9 mm 60.82 87.11 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 121.605 0.717 . . . . 0.0 109.177 -169.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -147.88 142.59 26.66 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.448 -0.797 . . . . 0.0 109.886 -171.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.575 HG11 ' HG3' ' A' ' 65' ' ' LYS . 26.0 m -60.08 139.43 19.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.242 0.544 . . . . 0.0 110.717 -179.698 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.38 -22.69 39.42 Favored Glycine 0 N--CA 1.443 -0.881 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.276 -178.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -87.17 137.96 31.9 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.422 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.543 HG12 HG22 ' A' ' 23' ' ' VAL . 45.8 mt -75.71 145.09 11.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.09 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 72.9 m -136.91 155.6 49.55 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 176.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.675 HG21 ' HB1' ' A' ' 18' ' ' ALA . 12.2 p -133.03 151.64 34.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.832 -175.318 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.536 ' HD3' ' HB3' ' A' ' 20' ' ' SER . 12.1 mptt -64.39 125.88 26.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.323 176.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.3 t -71.45 -36.36 60.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.641 -178.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -88.23 100.0 12.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.217 0.532 . . . . 0.0 109.653 178.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 155.45 110.83 0.36 Allowed Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 -176.146 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.1 mtt180 -64.68 -38.34 90.68 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -171.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -83.08 -13.33 55.94 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.003 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.675 ' HB1' HG21 ' A' ' 11' ' ' VAL . . . 54.98 40.56 32.08 Favored 'General case' 0 C--O 1.232 0.133 0 O-C-N 123.838 0.711 . . . . 0.0 109.69 -174.015 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.405 ' HA2' ' O ' ' A' ' 88' ' ' LYS . . . -78.78 31.58 1.96 Allowed Glycine 0 C--N 1.333 0.376 0 CA-C-N 115.014 -0.994 . . . . 0.0 113.993 -172.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.536 ' HB3' ' HD3' ' A' ' 12' ' ' LYS . 21.0 t -148.26 92.06 1.98 Allowed 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.505 0.669 . . . . 0.0 109.675 173.508 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt -103.13 142.34 34.31 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.737 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 73.0 m -148.65 154.69 40.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.255 -178.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.543 HG22 HG12 ' A' ' 9' ' ' ILE . 47.5 t -104.03 140.58 21.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 178.626 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 56.1 mt -71.14 96.93 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 173.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.428 ' HB ' ' O ' ' A' ' 67' ' ' ALA . 32.8 m -87.26 -28.48 5.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.277 -174.475 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -163.4 152.68 14.7 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.409 -176.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.435 HG23 HG12 ' A' ' 33' ' ' VAL . 60.0 mt -103.98 117.74 50.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.024 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.571 HD11 HD12 ' A' ' 34' ' ' LEU . 49.7 mm -82.89 -58.94 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.21 0.528 . . . . 0.0 111.022 -176.756 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.508 ' CG ' ' H ' ' A' ' 30' ' ' ASP . 22.0 t70 -119.32 -165.25 1.13 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.153 -0.931 . . . . 0.0 108.848 -175.59 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.508 ' H ' ' CG ' ' A' ' 29' ' ' ASP . 21.0 t70 -89.26 -26.78 21.0 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-O 121.606 0.717 . . . . 0.0 109.298 176.68 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -105.85 -25.2 12.25 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.135 -0.938 . . . . 0.0 110.551 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.47 ' H ' ' HB3' ' A' ' 29' ' ' ASP . 95.9 m-85 -114.04 136.71 52.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.84 -174.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.435 HG12 HG23 ' A' ' 27' ' ' ILE . 26.8 m -121.71 170.99 11.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.431 176.614 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.571 HD12 HD11 ' A' ' 28' ' ' ILE . 4.9 tt -109.2 116.46 31.96 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.44 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.4 m -122.3 136.01 60.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.251 178.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.3 t -150.97 174.73 12.8 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.973 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -133.63 141.09 12.39 Favored Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo -47.71 133.98 21.97 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 123.715 2.943 . . . . 0.0 112.527 -176.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -56.82 -58.56 7.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.481 -171.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -72.45 -16.18 61.82 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.724 -172.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.441 HD13 HG23 ' A' ' 82' ' ' THR . 68.7 mt -98.53 -52.93 8.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.971 0.415 . . . . 0.0 111.081 -175.603 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.2 m -115.26 -59.34 2.02 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.519 -178.29 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.03 67.27 1.48 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.748 178.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.5 t -120.73 110.28 27.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 122.72 -0.282 . . . . 0.0 110.799 179.136 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -66.74 136.95 56.27 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 177.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.405 ' HG3' HD21 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -85.07 149.55 25.48 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.234 0.54 . . . . 0.0 112.44 -168.368 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 53.5 mtm180 -143.84 161.73 37.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.02 -0.991 . . . . 0.0 108.753 170.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 67.7 mtt85 -68.82 110.54 4.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.799 0.333 . . . . 0.0 111.157 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 56.5 t -113.78 138.97 41.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.8 p30 -88.35 158.26 18.47 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.053 0.454 . . . . 0.0 110.992 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 30.1 pt -83.74 10.38 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.999 -176.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -95.32 -32.45 12.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.904 0.383 . . . . 0.0 110.82 -179.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -107.79 21.65 17.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.087 0.47 . . . . 0.0 110.398 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 46.2 tp -132.32 127.93 36.62 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.034 -178.033 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.445 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 44.9 mt-10 -116.82 140.94 27.49 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 178.007 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 55' ' ' GLU . 3.7 Cg_exo -78.81 144.15 19.08 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 123.029 2.486 . . . . 0.0 113.05 -174.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.0 m -83.73 164.31 19.68 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.24 175.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -65.29 -29.35 70.1 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -175.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -88.33 146.94 25.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.142 0.496 . . . . 0.0 112.14 -173.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 67.0 tttt -147.27 131.74 17.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.186 177.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.2 pt -98.52 112.45 30.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 171.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -77.65 101.52 6.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.015 0.436 . . . . 0.0 110.765 -174.013 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 12.5 pt -134.7 -177.37 2.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.373 -178.16 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -75.11 154.84 37.62 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.718 177.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.575 ' HG3' HG11 ' A' ' 6' ' ' VAL . 28.9 ttpp -69.37 130.2 41.89 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 178.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.21 54.12 0.81 Allowed Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 110.619 -0.993 . . . . 0.0 110.619 -173.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.428 ' O ' ' HB ' ' A' ' 25' ' ' VAL . . . -76.92 113.29 14.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.04 0.448 . . . . 0.0 111.28 -176.338 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.9 m -86.76 166.44 15.25 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.415 177.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 10.0 t70 -52.35 -38.44 58.7 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.193 0.52 . . . . 0.0 110.35 176.564 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.552 ' HG2' ' HE3' ' A' ' 74' ' ' LYS . 22.5 tt0 -59.85 -53.03 62.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.665 177.631 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.0 tp10 -62.75 -47.49 83.3 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.786 -175.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 71.5 t -62.0 -38.56 81.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.452 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 69' ' ' ASP . 30.3 ttmt -64.64 -44.45 90.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.691 -177.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.552 ' HE3' ' HG2' ' A' ' 70' ' ' GLU . 99.6 mttt -60.25 -56.83 16.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.846 179.133 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.6 -29.47 65.88 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.298 -172.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.45 HD21 ' HG3' ' A' ' 85' ' ' MET . 46.7 tp -68.54 -37.42 79.96 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.104 176.249 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.74 -43.77 95.49 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 177.644 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -62.31 -36.72 83.01 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.278 177.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.8 t -73.59 -23.58 59.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.267 -177.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 70.49 14.64 7.32 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 123.579 0.549 . . . . 0.0 111.393 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -95.64 17.39 14.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.119 0.485 . . . . 0.0 110.655 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.441 HG23 HD13 ' A' ' 41' ' ' ILE . 1.8 m -56.93 -43.99 82.03 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.411 -178.293 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -60.03 -38.02 81.49 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.76 -177.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -60.69 -27.43 67.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.439 -178.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.45 ' HG3' HD21 ' A' ' 76' ' ' LEU . 21.9 mmt -71.8 -45.02 62.92 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.324 -178.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -86.63 -28.96 22.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.612 0.244 . . . . 0.0 111.304 -174.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -70.6 135.93 48.82 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 176.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.405 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 63.1 mttp 59.45 85.8 0.1 Allowed 'General case' 0 C--O 1.235 0.337 0 O-C-N 123.734 0.646 . . . . 0.0 110.996 -173.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 14.6 tt -138.21 153.41 26.71 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.518 177.18 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.682 ' HE3' ' HA ' ' A' ' 90' ' ' LYS . 1.0 OUTLIER -91.55 91.09 7.9 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.038 -178.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.453 HD12 ' H ' ' A' ' 91' ' ' ILE . 5.0 mp -76.76 99.56 2.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -133.15 105.74 7.2 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.446 -176.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 22.7 ptt? -119.93 95.86 49.27 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-O 121.296 0.569 . . . . 0.0 110.521 177.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -79.43 -31.75 1.95 Allowed 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 123.162 2.575 . . . . 0.0 112.815 -179.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.0 m -116.82 116.8 28.16 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.741 -178.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 54.3 tp . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.484 -0.769 . . . . 0.0 109.991 179.338 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.477 0.915 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.36 104.33 0.75 Allowed 'Trans proline' 0 C--O 1.237 0.444 0 C-N-CA 122.488 2.125 . . . . 0.0 112.623 -176.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.97 106.6 12.12 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.568 173.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.49 HG23 HD13 ' A' ' 24' ' ' ILE . 86.0 mt 69.02 96.91 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-O 121.501 0.667 . . . . 0.0 110.583 -175.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -143.59 157.08 44.69 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.219 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.51 HG11 ' HG3' ' A' ' 65' ' ' LYS . 21.4 m -61.85 139.94 19.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.208 0.527 . . . . 0.0 111.55 -179.054 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.494 ' HA3' ' O ' ' A' ' 61' ' ' ILE . . . 88.5 -8.16 79.75 Favored Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.759 178.635 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.9 ttt180 -94.27 133.82 37.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.899 0.381 . . . . 0.0 110.145 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.709 HG13 HG22 ' A' ' 23' ' ' VAL . 4.0 mp -80.97 132.47 31.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.191 -178.513 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.8 p -118.75 154.59 32.55 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.728 176.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.0 p -110.89 144.0 19.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 120.881 0.372 . . . . 0.0 110.714 -178.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.79 ' HE2' ' HB3' ' A' ' 14' ' ' LYS . 1.8 tmtp? -72.72 102.22 3.28 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 177.121 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.4 p -119.6 62.3 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 122.764 1.268 . . . . 0.0 110.234 -175.628 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.79 ' HB3' ' HE2' ' A' ' 12' ' ' LYS . 13.2 tmtt? -128.48 -39.3 1.68 Allowed 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.112 -1.404 . . . . 0.0 109.178 174.476 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -93.42 -151.71 28.36 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.281 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -111.14 -16.87 13.35 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.48 0.657 . . . . 0.0 109.846 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.459 ' CD ' ' H ' ' A' ' 17' ' ' GLU . 0.6 OUTLIER -96.19 101.71 13.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.68 176.925 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -101.64 24.46 9.75 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.084 -176.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.58 22.53 20.28 Favored Glycine 0 C--N 1.319 -0.398 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.811 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.9 m -116.57 98.96 6.83 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.968 0.413 . . . . 0.0 110.319 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -95.9 128.71 43.02 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.179 174.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 34.1 m -127.78 143.02 51.15 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.054 0.454 . . . . 0.0 110.199 -179.091 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.709 HG22 HG13 ' A' ' 9' ' ' ILE . 47.1 t -97.71 133.31 40.09 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.922 -178.37 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.49 HD13 HG23 ' A' ' 4' ' ' ILE . 57.2 mt -73.37 99.78 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 175.087 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 62.1 t -83.65 -46.56 18.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.043 -173.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.586 ' HB2' ' HA2' ' A' ' 66' ' ' GLY . 33.2 t70 -141.97 126.2 17.51 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 -178.048 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 67.4 mt -85.7 109.82 18.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.269 175.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 40.7 mt -96.34 -59.92 2.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.315 0.578 . . . . 0.0 110.408 -176.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.536 ' HB3' ' HB2' ' A' ' 32' ' ' PHE . 16.9 t70 -110.24 -163.38 0.85 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.273 -0.876 . . . . 0.0 108.866 -178.686 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.485 ' H ' ' CG ' ' A' ' 29' ' ' ASP . 17.6 t70 -93.77 -33.96 13.38 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 177.479 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.584 ' O ' ' HA ' ' A' ' 50' ' ' ASN . 58.7 t30 -114.91 1.35 14.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.468 -179.615 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.536 ' HB2' ' HB3' ' A' ' 29' ' ' ASP . 62.1 m-85 -129.48 121.31 27.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.84 178.6 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.593 HG23 HG13 ' A' ' 35' ' ' VAL . 33.9 m -132.04 169.04 22.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 176.512 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.6 tt -94.56 115.62 27.8 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 176.174 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.593 HG13 HG23 ' A' ' 33' ' ' VAL . 16.0 m -124.7 143.54 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.583 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.0 t -172.09 -175.19 1.41 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.527 177.02 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.414 ' H ' ' HB ' ' A' ' 44' ' ' VAL . . . -135.7 138.85 10.26 Favored Glycine 0 N--CA 1.442 -0.921 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 178.315 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.616 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 90.8 Cg_exo -43.39 132.74 6.92 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 123.467 2.778 . . . . 0.0 112.898 -176.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.406 ' H ' ' HG3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -77.14 -8.71 57.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.046 -0.525 . . . . 0.0 112.035 -171.791 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.623 ' HB2' ' HE2' ' A' ' 73' ' ' LYS . 40.2 m-20 -103.13 -4.45 24.44 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.975 173.461 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.616 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 66.1 mt -121.74 -63.18 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 121.016 -0.273 . . . . 0.0 111.697 -175.142 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -97.33 -51.24 4.24 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.883 0.373 . . . . 0.0 111.136 -173.783 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.76 52.82 4.23 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.385 -178.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.414 ' HB ' ' H ' ' A' ' 37' ' ' GLY . 58.1 t -95.2 146.92 6.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 122.662 -0.317 . . . . 0.0 110.227 -179.524 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.503 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -81.91 138.4 35.02 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.008 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -80.88 116.6 20.94 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.143 -0.48 . . . . 0.0 112.026 -173.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 47' ' ' ARG . 8.7 mtt180 -148.48 150.1 32.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.037 172.187 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 71.5 mtm180 -105.78 122.07 45.34 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 175.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 20.6 m -130.99 176.74 8.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.232 -176.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.584 ' HA ' ' O ' ' A' ' 31' ' ' ASN . 23.4 m-80 -77.55 127.99 33.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.31 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.465 HG13 ' HA ' ' A' ' 31' ' ' ASN . 2.8 pp -72.24 -2.95 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -174.178 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.21 -21.1 66.45 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -177.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.9 m80 -116.7 22.42 12.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.02 0.438 . . . . 0.0 110.959 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 54' ' ' LEU . 3.6 mm? -118.01 126.44 52.32 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 173.479 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.415 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 42.4 mt-10 -120.21 134.51 24.08 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 55' ' ' GLU . 5.9 Cg_exo -73.61 155.22 49.87 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.847 2.365 . . . . 0.0 112.911 -175.663 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.512 ' HB ' ' OH ' ' A' ' 84' ' ' TYR . 28.4 p -93.63 -170.87 2.46 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.831 177.753 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -61.35 -56.03 25.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.08 0.467 . . . . 0.0 112.116 -176.124 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -113.19 165.78 12.08 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.344 0.592 . . . . 0.0 112.359 -166.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -141.01 156.56 46.01 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.231 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.586 HD11 HG13 ' A' ' 72' ' ' VAL . 22.3 pt -106.57 122.41 60.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 169.487 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -78.98 101.2 7.65 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.121 0.486 . . . . 0.0 110.955 -172.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.9 pt -120.3 -178.13 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.633 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -85.56 149.29 25.46 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.886 177.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.51 ' HG3' HG11 ' A' ' 6' ' ' VAL . 23.4 ttpp -66.49 110.13 3.03 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.586 ' HA2' ' HB2' ' A' ' 26' ' ' ASP . . . 94.89 44.79 3.26 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.989 -178.117 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.7 174.75 10.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.073 0.463 . . . . 0.0 111.294 -179.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.8 m -106.51 167.51 9.79 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.338 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -51.49 -46.31 63.14 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.42 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -61.1 -42.1 97.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.545 -175.259 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -67.03 -48.68 67.6 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.86 0.362 . . . . 0.0 110.524 -178.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.586 HG13 HD11 ' A' ' 61' ' ' ILE . 84.2 t -57.82 -47.16 86.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.372 0.606 . . . . 0.0 110.245 178.005 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.623 ' HE2' ' HB2' ' A' ' 40' ' ' ASP . 27.3 ttmt -57.21 -49.27 76.53 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.115 178.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 30.2 tttm -65.68 -43.03 90.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.464 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.543 ' HA ' ' HE3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -59.85 -39.98 87.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.793 179.859 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 50.1 mt -60.6 -50.71 72.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.674 176.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -61.51 -50.8 71.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.855 178.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -58.95 -37.61 77.14 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.634 -1.166 . . . . 0.0 111.82 -174.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.6 m -93.48 -1.73 55.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.379 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 63.82 27.49 14.58 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.471 -178.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 81' ' ' LEU . 3.4 mm? -89.15 12.88 14.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.023 0.44 . . . . 0.0 110.502 178.164 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.3 m -59.55 -41.62 90.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.123 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -60.78 -51.03 71.07 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 120.913 0.387 . . . . 0.0 110.973 -178.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.512 ' OH ' ' HB ' ' A' ' 57' ' ' THR . 41.1 t80 -65.33 -20.77 66.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.669 -174.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.39 -45.93 5.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.66 0.267 . . . . 0.0 110.937 -177.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -63.99 -33.12 75.0 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.088 0.47 . . . . 0.0 110.704 -178.268 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -63.73 136.46 57.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.098 178.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -141.3 122.94 15.16 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.724 0.297 . . . . 0.0 110.427 178.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -103.8 161.16 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.558 -176.469 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 58.51 65.73 1.21 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.105 177.157 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.417 ' N ' HD12 ' A' ' 91' ' ' ILE . 4.5 mp -86.51 122.1 38.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.947 179.591 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.54 ' HG2' ' HG2' ' A' ' 93' ' ' MET . 46.9 ttt180 -77.19 128.38 34.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.13 178.087 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.54 ' HG2' ' HG2' ' A' ' 92' ' ' ARG . 23.0 mmt 68.54 108.11 0.03 OUTLIER Pre-proline 0 N--CA 1.465 0.284 0 O-C-N 123.982 0.802 . . . . 0.0 111.583 -179.627 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -60.81 133.68 49.36 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.492 2.128 . . . . 0.0 111.782 176.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.7 m -67.7 -25.81 65.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.256 0.55 . . . . 0.0 111.096 -178.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 96.6 mt . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.258 -0.877 . . . . 0.0 109.863 178.681 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.1 ptp . . . . . 0 N--CA 1.481 1.096 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.473 ' CB ' ' HD2' ' A' ' 56' ' ' PRO . 21.3 Cg_endo -61.58 106.84 0.45 Allowed 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.693 2.262 . . . . 0.0 111.656 173.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.428 ' O ' ' HG2' ' A' ' 8' ' ' ARG . . . -118.37 137.79 52.87 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.135 -175.69 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.45 ' N ' HD12 ' A' ' 4' ' ' ILE . 4.1 mp -86.29 91.44 3.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.444 ' HB2' ' HB2' ' A' ' 8' ' ' ARG . 58.3 mm-40 -133.58 155.36 49.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.558 -175.362 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.9 m -76.28 125.28 35.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 174.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.69 3.67 64.23 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.929 -175.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.547 ' HD2' ' O ' ' A' ' 57' ' ' THR . 5.7 tpp180 -88.89 127.34 35.64 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.955 0.407 . . . . 0.0 110.446 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.2 mt -76.87 129.12 37.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.521 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.657 ' HA ' ' HA ' ' A' ' 56' ' ' PRO . 44.7 m -114.84 142.55 46.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.254 178.441 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.9 p -128.53 148.53 32.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.364 0.602 . . . . 0.0 110.933 -177.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.63 ' HB3' ' HB2' ' A' ' 20' ' ' SER . 22.3 tptm -92.85 121.64 34.42 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.507 -179.519 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.8 m -81.79 -5.1 8.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.296 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.513 ' H ' ' HG3' ' A' ' 12' ' ' LYS . 33.6 mmtm -135.25 100.91 4.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.028 0.442 . . . . 0.0 110.696 178.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.507 ' O ' ' HB2' ' A' ' 16' ' ' ARG . . . 143.5 55.53 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -176.341 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.507 ' HB2' ' O ' ' A' ' 15' ' ' GLY . 11.0 mpt_? 74.38 150.56 0.11 Allowed 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.519 0.728 . . . . 0.0 110.035 -172.749 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -56.2 94.5 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 O-C-N 123.386 0.429 . . . . 0.0 111.41 -178.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 54.49 31.03 13.99 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.503 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.416 ' O ' ' HA ' ' A' ' 89' ' ' ILE . . . -78.91 -11.36 85.29 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.065 -179.158 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.63 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 15.8 m -115.46 108.72 16.85 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 175.642 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.418 ' HE2' ' O ' ' A' ' 84' ' ' TYR . 46.8 mttp -125.72 143.22 51.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.958 179.233 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.424 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 77.4 m -148.99 155.92 41.51 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.602 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.417 HG21 HD11 ' A' ' 61' ' ' ILE . 9.4 p -117.25 134.96 59.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 120.656 0.265 . . . . 0.0 110.54 178.753 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 65.3 mt -73.64 109.66 6.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.339 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 63.1 t -88.66 -53.56 9.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.153 -178.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -138.96 140.3 38.22 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.362 -176.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.476 HG23 HG12 ' A' ' 33' ' ' VAL . 56.4 mt -106.17 110.62 32.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 120.925 0.393 . . . . 0.0 109.953 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.443 HD11 ' HB2' ' A' ' 34' ' ' LEU . 4.5 mp -94.98 -65.91 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.09 -178.415 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.787 ' HB2' ' HB2' ' A' ' 32' ' ' PHE . 5.7 m-20 -94.92 -176.64 3.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.746 179.419 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -71.11 -41.76 70.15 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.94 -176.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -112.91 -25.44 9.01 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.816 0.341 . . . . 0.0 110.816 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.787 ' HB2' ' HB2' ' A' ' 29' ' ' ASP . 65.7 m-85 -84.05 105.11 14.66 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.213 0.53 . . . . 0.0 111.285 178.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.476 HG12 HG23 ' A' ' 27' ' ' ILE . 31.6 m -111.32 161.75 9.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.372 178.476 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.443 ' HB2' HD11 ' A' ' 28' ' ' ILE . 6.3 tt -98.05 116.79 30.99 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 177.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.424 ' HB ' ' HB3' ' A' ' 22' ' ' CYS . 35.4 m -118.17 160.75 17.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.255 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.6 t -145.23 148.43 33.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.983 0.42 . . . . 0.0 110.392 177.37 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -107.4 102.11 1.77 Allowed Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 109.925 -1.27 . . . . 0.0 109.925 171.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.675 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 56.8 Cg_exo -36.45 123.97 0.35 Allowed 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 124.455 3.437 . . . . 0.0 113.971 -171.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.3 tptt -54.22 -47.92 71.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.463 -0.789 . . . . 0.0 112.435 -173.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -86.93 -0.43 56.53 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -174.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.675 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 4.6 mp -122.08 -69.52 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.272 -175.189 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.8 m -84.53 -37.16 21.6 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.872 0.368 . . . . 0.0 110.56 -177.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.4 44.78 57.74 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.941 176.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.402 ' HB ' ' H ' ' A' ' 45' ' ' LYS . 27.9 t -104.4 -95.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 O-C-N 122.701 -0.294 . . . . 0.0 110.261 178.639 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.413 ' HG3' ' H ' ' A' ' 46' ' ' ARG . 13.7 tptm 174.8 179.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 -178.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.413 ' H ' ' HG3' ' A' ' 45' ' ' LYS . 22.9 ptt180 -118.34 145.82 44.83 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 176.536 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -172.47 172.36 4.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 123.211 0.319 . . . . 0.0 110.326 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.0 mtm180 -94.17 142.9 26.88 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 172.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.1 p -150.56 145.92 16.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 120.956 0.408 . . . . 0.0 110.543 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -86.86 109.05 19.04 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.363 0.601 . . . . 0.0 110.029 175.127 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.5 pt -78.21 82.27 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.627 0.727 . . . . 0.0 110.696 -178.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 44.6 tp -106.85 -31.96 8.14 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.227 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 46.3 m-70 -122.14 21.95 10.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.992 0.425 . . . . 0.0 111.019 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.2 mp -117.45 135.27 54.02 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.486 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 44.0 mt-10 -117.13 121.08 32.89 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-O 120.967 0.413 . . . . 0.0 111.16 -176.713 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.657 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 17.5 Cg_exo -68.61 151.59 74.99 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 123.374 2.716 . . . . 0.0 112.988 176.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.547 ' O ' ' HD2' ' A' ' 8' ' ' ARG . 37.5 p -85.41 178.12 7.55 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.602 177.016 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -85.56 -17.76 35.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.797 0.332 . . . . 0.0 110.594 178.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -85.23 144.97 27.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.073 0.463 . . . . 0.0 110.467 175.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.98 157.48 44.51 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.999 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.443 HG13 HG12 ' A' ' 63' ' ' ILE . 26.2 pt -96.46 143.22 12.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 172.379 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -86.09 46.57 1.34 Allowed 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.132 0.492 . . . . 0.0 111.688 -168.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.465 HD12 ' HB3' ' A' ' 67' ' ' ALA . 48.0 pt -89.74 -172.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.372 177.029 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -122.37 178.25 5.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.798 0.333 . . . . 0.0 111.066 -179.162 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -69.6 108.81 4.0 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.416 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.34 44.71 3.42 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.142 -178.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.465 ' HB3' HD12 ' A' ' 63' ' ' ILE . . . -93.58 125.97 38.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.68 0.276 . . . . 0.0 110.363 177.388 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.9 p -67.41 166.8 13.83 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.722 -176.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.433 ' OD2' ' HA ' ' A' ' 38' ' ' PRO . 10.3 t70 -59.69 -30.66 68.93 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.3 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -58.24 -47.49 83.38 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.368 176.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -68.07 -42.71 80.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.473 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.402 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 57.8 t -61.64 -46.76 95.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.506 178.664 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -56.87 -49.09 76.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.848 177.535 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.92 -51.25 70.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.444 178.47 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.467 ' HD2' ' HA ' ' A' ' 75' ' ' LYS . 32.5 tptt -64.71 -36.76 85.31 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.307 -175.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.411 HD11 ' HG2' ' A' ' 38' ' ' PRO . 32.7 mt -60.57 -40.49 91.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.349 . . . . 0.0 110.762 177.071 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -72.61 -50.89 22.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.926 176.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -59.69 -50.36 74.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.336 -175.133 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.1 m -84.03 -5.77 59.29 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.979 -175.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 65.41 48.53 2.06 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.043 0.449 . . . . 0.0 111.249 177.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -122.51 17.41 10.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.713 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.5 t -77.15 -39.21 49.99 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -172.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -55.84 -47.03 77.96 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.738 -176.405 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.418 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 65.8 t80 -61.53 -31.93 71.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.432 -176.283 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.8 mmt -77.71 -20.81 52.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.73 0.3 . . . . 0.0 111.595 -178.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -100.12 -33.91 10.27 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.139 -174.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -71.97 123.4 22.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.854 0.359 . . . . 0.0 111.356 -178.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 71.19 113.8 0.05 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.888 173.664 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.416 ' HA ' ' O ' ' A' ' 19' ' ' GLY . 18.4 tt -139.61 164.48 23.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.483 -177.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.483 ' HG3' ' HD3' ' A' ' 16' ' ' ARG . 39.6 ttpt -66.97 121.67 16.05 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 -178.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.8 mp -59.18 121.71 7.48 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.751 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 43.0 ttt180 -146.35 100.3 3.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.324 -178.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 45.7 ttm -75.5 121.39 85.05 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 174.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -65.25 107.32 0.95 Allowed 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.378 2.052 . . . . 0.0 111.07 176.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.1 p -85.25 88.55 7.5 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.122 0.486 . . . . 0.0 110.785 -178.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 33.2 tp . . . . . 0 C--O 1.247 0.926 0 CA-C-O 118.282 -0.866 . . . . 0.0 109.671 -177.992 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.483 1.219 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -64.8 103.51 0.48 Allowed 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.195 1.93 . . . . 0.0 111.042 174.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -151.09 149.05 29.05 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.949 -177.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.429 HG23 HD13 ' A' ' 24' ' ' ILE . 47.0 mm 58.29 76.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.655 0.74 . . . . 0.0 109.024 -173.376 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -119.61 150.13 40.81 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.466 -172.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.42 HG11 ' HG2' ' A' ' 65' ' ' LYS . 16.4 m -69.49 115.98 9.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.523 0.678 . . . . 0.0 110.139 175.468 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.49 13.33 41.73 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.393 -0.908 . . . . 0.0 112.671 -178.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -105.88 120.03 40.7 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 174.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.4 mt -69.01 137.0 25.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.55 -174.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 23.3 m -134.16 124.72 26.53 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.382 0.61 . . . . 0.0 110.282 176.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.4 p -88.61 151.84 3.44 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.94 -175.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.587 ' HE2' ' N ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -83.96 104.22 13.85 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.755 -179.405 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.4 HG13 ' HD2' ' A' ' 14' ' ' LYS . 9.3 p -66.79 -23.3 30.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.154 0.502 . . . . 0.0 110.394 178.268 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.65 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 0.6 OUTLIER -88.71 12.3 15.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.478 176.425 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -99.23 110.72 4.05 Favored Glycine 0 N--CA 1.445 -0.75 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 174.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.9 mtp-105 -63.6 -25.02 68.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.829 0.347 . . . . 0.0 111.564 -172.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -81.66 -19.92 40.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.497 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 57.57 26.39 12.74 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.502 -177.362 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -113.28 -11.88 12.84 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.465 -0.788 . . . . 0.0 111.427 178.37 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.437 ' HB2' ' HD2' ' A' ' 12' ' ' LYS . 1.3 p -71.39 100.23 2.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.339 0.59 . . . . 0.0 110.836 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -107.59 141.72 38.62 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.595 -177.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.467 ' SG ' ' HE3' ' A' ' 12' ' ' LYS . 73.4 m -148.95 156.74 42.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.021 178.158 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.4 p -119.69 143.5 31.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.333 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.429 HD13 HG23 ' A' ' 4' ' ' ILE . 65.3 mt -78.98 118.77 26.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 176.484 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.8 m -107.86 -28.64 2.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.914 -177.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -153.79 142.81 21.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.873 0.368 . . . . 0.0 110.736 -178.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.491 HG23 HG12 ' A' ' 33' ' ' VAL . 48.6 mt -102.5 109.13 25.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 178.115 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.551 HG13 ' HD3' ' A' ' 48' ' ' ARG . 40.6 mm -78.4 -64.29 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.105 0.479 . . . . 0.0 110.909 -176.71 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.438 ' HB3' ' H ' ' A' ' 32' ' ' PHE . 8.3 t70 -108.11 -159.41 0.69 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 -177.383 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -80.75 -32.71 35.51 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.43 0.633 . . . . 0.0 109.354 176.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -114.86 -37.32 4.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.755 178.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.438 ' H ' ' HB3' ' A' ' 29' ' ' ASP . 55.1 m-85 -72.24 104.59 3.73 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-O 121.097 0.475 . . . . 0.0 111.308 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.491 HG12 HG23 ' A' ' 27' ' ' ILE . 28.2 m -108.03 154.05 9.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.17 176.408 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.49 HD11 ' HD2' ' A' ' 46' ' ' ARG . 1.8 tm? -96.42 115.79 28.0 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 29.6 m -122.71 147.0 27.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.241 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.532 ' HB ' ' HB3' ' A' ' 46' ' ' ARG . 9.1 t -149.35 153.9 38.13 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.727 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.518 ' HA3' ' HB ' ' A' ' 44' ' ' VAL . . . -104.68 111.28 3.75 Favored Glycine 0 N--CA 1.441 -1.009 0 N-CA-C 110.441 -1.063 . . . . 0.0 110.441 172.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.924 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 74.7 Cg_exo -24.23 114.62 0.03 OUTLIER 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 125.263 3.976 . . . . 0.0 114.605 -173.694 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -48.14 -54.23 14.02 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 114.827 -1.079 . . . . 0.0 112.25 -173.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -102.38 28.35 6.01 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.508 0.67 . . . . 0.0 111.168 -175.118 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.924 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 69.1 mt -121.92 -53.9 3.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 172.664 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.663 HG23 ' H ' ' A' ' 43' ' ' GLY . 1.8 t -115.54 -67.89 0.96 Allowed 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 172.054 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.663 ' H ' HG23 ' A' ' 42' ' ' THR . . . 118.69 63.92 0.29 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.527 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.518 ' HB ' ' HA3' ' A' ' 37' ' ' GLY . 60.8 t -121.18 111.01 29.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 179.516 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -52.14 130.92 31.54 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.167 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.532 ' HB3' ' HB ' ' A' ' 36' ' ' THR . 27.3 ptt180 -71.84 134.11 45.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.186 -176.733 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 46.4 mtm180 -141.42 170.49 15.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.608 178.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.551 ' HD3' HG13 ' A' ' 28' ' ' ILE . 43.0 mtm180 -102.18 131.28 48.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.5 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 32' ' ' PHE . 7.1 p -129.65 142.03 44.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.975 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -88.45 31.0 0.84 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.637 -175.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 64.6 mt 59.1 91.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.547 0.689 . . . . 0.0 110.888 -175.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.1 tt -173.61 -42.11 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.279 -176.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -89.52 13.07 14.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.492 -177.32 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -153.63 154.01 33.38 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.703 0.287 . . . . 0.0 111.357 -176.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -127.94 141.51 41.42 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.086 173.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -59.76 129.06 29.08 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.57 2.18 . . . . 0.0 111.47 175.087 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.3 m -98.96 163.18 12.7 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 -174.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -56.45 -32.85 65.32 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.118 -0.946 . . . . 0.0 112.724 -176.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.509 ' N ' ' HD2' ' A' ' 59' ' ' LYS . 3.6 mptp? -93.28 135.84 34.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.301 0.572 . . . . 0.0 111.798 -172.229 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.766 ' HE2' ' HB2' ' A' ' 62' ' ' ASP . 81.9 tttt -139.61 125.55 19.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.874 178.341 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.436 HG21 HD23 ' A' ' 76' ' ' LEU . 12.7 pt -92.92 -31.05 4.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.767 0.318 . . . . 0.0 110.648 177.418 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.766 ' HB2' ' HE2' ' A' ' 60' ' ' LYS . 33.2 t70 64.52 112.98 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.854 -1.066 . . . . 0.0 111.592 178.276 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.789 HG22 ' HG2' ' A' ' 75' ' ' LYS . 22.5 pt -128.47 -179.32 2.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.985 -176.162 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -92.07 168.77 11.14 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.668 174.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' A' ' 66' ' ' GLY . 0.1 OUTLIER -85.62 132.44 34.17 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.477 ' N ' ' HD2' ' A' ' 65' ' ' LYS . . . 114.38 36.64 1.3 Allowed Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 -173.323 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.452 ' HB2' HD12 ' A' ' 63' ' ' ILE . . . -87.16 145.83 26.26 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.421 0.629 . . . . 0.0 112.181 -171.496 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.466 ' H ' ' HB3' ' A' ' 71' ' ' GLU . 57.8 p -126.81 -174.04 3.04 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.427 175.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -63.59 -25.44 68.23 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.315 0.578 . . . . 0.0 109.682 174.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -71.33 -52.9 16.23 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.404 176.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.466 ' HB3' ' H ' ' A' ' 68' ' ' SER . 5.1 tp10 -58.94 -47.98 83.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.697 -177.669 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.448 HG11 ' HG3' ' A' ' 38' ' ' PRO . 64.5 t -60.49 -43.51 94.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.767 0.318 . . . . 0.0 110.553 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -68.71 -37.77 79.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.108 0.48 . . . . 0.0 110.066 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -56.7 -53.8 53.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.754 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.789 ' HG2' HG22 ' A' ' 63' ' ' ILE . 14.1 mptt -65.83 -39.51 90.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.439 -179.17 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.436 HD23 HG21 ' A' ' 61' ' ' ILE . 69.4 mt -64.19 -42.74 96.52 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.63 0.253 . . . . 0.0 110.752 177.48 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -64.44 -47.28 79.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.62 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -57.93 -35.77 71.55 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.945 -179.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.5 t -94.1 -1.39 54.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.171 -179.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.5 t30 55.96 37.53 28.96 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.37 0.605 . . . . 0.0 110.128 -177.009 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.5 3.37 21.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.021 -176.067 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.5 m -59.14 -31.48 69.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.085 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 87' ' ' GLU . 32.2 tt0 -54.47 -51.02 66.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.366 -179.191 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -63.32 -32.45 73.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.593 -175.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 13.5 tpt -76.2 -26.72 56.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.132 0.492 . . . . 0.0 110.308 -178.192 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -98.6 -0.65 42.67 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.78 -178.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -87.96 162.34 16.92 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.728 -174.559 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.411 ' O ' ' HD2' ' A' ' 90' ' ' LYS . 45.6 mtpt 64.74 -165.12 0.24 Allowed 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.801 0.84 . . . . 0.0 110.883 -176.777 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.588 ' H ' HD12 ' A' ' 89' ' ' ILE . 4.8 mp -67.45 127.18 28.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.091 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.45 ' HD3' ' H ' ' A' ' 90' ' ' LYS . 0.1 OUTLIER -138.89 142.54 38.55 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.904 -176.044 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.443 ' N ' HD12 ' A' ' 91' ' ' ILE . 4.3 mp -84.73 96.97 4.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.86 -176.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.485 ' HD2' ' O ' ' A' ' 42' ' ' THR . 21.9 tpt180 -98.7 58.92 1.22 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.538 0.685 . . . . 0.0 109.384 177.228 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.413 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 16.2 tpt -101.79 120.08 55.18 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.295 -176.611 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 93' ' ' MET . 15.9 Cg_exo -68.25 92.0 0.39 Allowed 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.741 2.294 . . . . 0.0 111.572 177.164 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.0 t -154.82 154.45 32.76 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.135 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 C--O 1.252 1.213 0 CA-C-O 117.897 -1.049 . . . . 0.0 108.792 175.839 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.4 mtt . . . . . 0 N--CA 1.481 1.12 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -65.99 103.46 0.61 Allowed 'Trans proline' 0 N--CA 1.461 -0.382 0 C-N-CA 122.451 2.101 . . . . 0.0 112.124 -179.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.422 ' O ' ' HB ' ' A' ' 4' ' ' ILE . . . -124.43 100.75 6.82 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 176.42 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.422 ' HB ' ' O ' ' A' ' 3' ' ' ALA . 43.8 mm 70.05 96.93 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.106 -173.799 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -152.13 169.51 22.24 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 -178.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.557 HG11 ' HA ' ' A' ' 65' ' ' LYS . 34.3 m -54.77 145.59 4.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.475 0.655 . . . . 0.0 112.163 -176.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.444 ' HA2' HG12 ' A' ' 63' ' ' ILE . . . 99.63 -23.2 37.11 Favored Glycine 0 N--CA 1.443 -0.856 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.915 175.686 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -100.37 138.88 36.84 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 117.414 0.607 . . . . 0.0 110.091 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.471 HG13 HG22 ' A' ' 23' ' ' VAL . 4.1 mp -86.42 142.32 13.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.243 -177.461 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 56' ' ' PRO . 7.5 p -126.61 144.88 50.76 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.99 0.424 . . . . 0.0 110.147 176.524 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -116.76 138.53 47.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.434 0.635 . . . . 0.0 110.775 -179.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.494 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 57.1 mtpt -72.26 138.53 47.52 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.452 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.8 m -106.34 30.4 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.847 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.704 ' HB3' ' HB2' ' A' ' 18' ' ' ALA . 13.4 tmtt? -55.4 99.77 0.03 OUTLIER 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.965 176.721 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.34 -97.6 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -172.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.0 ttp-105 -161.37 26.05 0.13 Allowed 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 172.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -117.06 5.33 12.79 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 114.872 -1.058 . . . . 0.0 111.204 -171.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.704 ' HB2' ' HB3' ' A' ' 14' ' ' LYS . . . -89.21 102.84 15.49 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.031 0.443 . . . . 0.0 111.148 -174.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.91 ' HA2' HD13 ' A' ' 89' ' ' ILE . . . -98.02 6.38 61.98 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.063 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.506 ' HB3' HG13 ' A' ' 44' ' ' VAL . 37.9 m -86.46 96.84 10.18 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.096 0.474 . . . . 0.0 110.834 -177.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm -81.54 128.76 34.25 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.186 176.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.461 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 18.2 m -116.72 148.24 41.27 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.811 0.339 . . . . 0.0 110.734 -175.096 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.471 HG22 HG13 ' A' ' 9' ' ' ILE . 47.7 t -106.19 130.0 58.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.168 177.48 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.444 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 46.2 mt -73.53 117.31 17.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 176.778 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.401 ' CG1' HG21 ' A' ' 72' ' ' VAL . 35.9 m -119.36 -22.01 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -175.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.536 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 27.0 t70 -155.41 139.08 16.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.821 0.343 . . . . 0.0 111.302 -176.733 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.3 mp -116.45 112.29 38.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.843 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.435 ' N ' HD12 ' A' ' 28' ' ' ILE . 4.0 mp -85.73 -57.63 4.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.715 -175.724 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.49 ' CG ' ' H ' ' A' ' 30' ' ' ASP . 11.7 t70 -128.97 -161.35 1.1 Allowed 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 -176.252 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.49 ' H ' ' CG ' ' A' ' 29' ' ' ASP . 38.5 t70 -83.28 -28.49 29.08 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.284 0.564 . . . . 0.0 110.009 -178.576 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.473 ' O ' ' HA ' ' A' ' 50' ' ' ASN . 81.6 m-20 -108.51 -31.55 7.75 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.421 176.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -92.24 120.4 32.77 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.049 -172.155 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.24 164.56 34.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.019 -178.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.536 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . 62.0 tp -117.01 116.93 28.32 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.06 0.457 . . . . 0.0 110.286 178.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.461 ' HB ' ' HB3' ' A' ' 22' ' ' CYS . 22.7 m -121.1 146.41 26.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.681 176.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.1 t -138.64 143.93 39.46 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.133 0.492 . . . . 0.0 110.795 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.517 ' HA3' ' HB ' ' A' ' 44' ' ' VAL . . . -113.11 103.8 1.45 Allowed Glycine 0 N--CA 1.442 -0.951 0 N-CA-C 110.134 -1.186 . . . . 0.0 110.134 172.258 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -26.44 112.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 125.26 3.973 . . . . 0.0 114.256 -171.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.499 ' HA ' ' HA2' ' A' ' 43' ' ' GLY . 15.5 ptpt -66.28 -23.33 66.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.815 -177.107 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -77.3 -29.27 53.62 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.781 -179.365 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.404 HD13 HG23 ' A' ' 82' ' ' THR . 59.9 mt -105.82 -74.79 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.395 -177.338 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.8 m -83.37 -46.15 12.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.522 -173.039 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.499 ' HA2' ' HA ' ' A' ' 39' ' ' LYS . . . 80.51 58.66 2.67 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.356 -0.926 . . . . 0.0 111.787 -177.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.517 ' HB ' ' HA3' ' A' ' 37' ' ' GLY . 90.6 t -91.53 138.19 20.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 179.554 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -62.61 97.59 0.1 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.428 HH12 ' HB2' ' A' ' 69' ' ' ASP . 10.0 ptm180 -84.1 144.55 28.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.489 -176.002 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.418 HH11 HG12 ' A' ' 49' ' ' VAL . 45.1 ttt-85 -172.54 151.33 2.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.46 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.42 ' HG3' HD13 ' A' ' 34' ' ' LEU . 97.9 mtt180 -72.04 116.75 12.82 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 171.137 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.418 HG12 HH11 ' A' ' 47' ' ' ARG . 31.5 m -128.47 -178.97 2.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 120.89 0.376 . . . . 0.0 111.173 -174.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.473 ' HA ' ' O ' ' A' ' 31' ' ' ASN . 21.4 p-10 -105.56 145.46 30.92 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.243 177.643 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.9 tt -76.99 87.29 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.968 0.89 . . . . 0.0 109.891 177.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.3 tp -118.78 -57.73 2.02 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.571 -178.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -124.29 62.93 1.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.306 0.574 . . . . 0.0 111.482 -174.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.1 pp -150.17 147.44 27.73 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.04 173.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -126.12 142.3 42.17 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-O 120.888 0.375 . . . . 0.0 110.007 176.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.451 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 73.8 Cg_endo -75.58 145.81 29.94 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.739 2.293 . . . . 0.0 113.228 -175.373 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.3 m -86.81 160.08 18.89 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.557 177.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -62.12 -44.25 97.06 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -175.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.418 ' N ' ' HD2' ' A' ' 59' ' ' LYS . 2.6 mptp? -76.39 155.82 33.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.252 0.549 . . . . 0.0 111.632 -170.14 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.485 ' HE2' ' HA ' ' A' ' 62' ' ' ASP . 85.9 tttt -137.91 126.98 24.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.479 178.038 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.4 pt -79.34 -20.87 12.48 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.309 0 CA-C-O 121.342 0.592 . . . . 0.0 110.555 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.485 ' HA ' ' HE2' ' A' ' 60' ' ' LYS . 21.5 t70 66.36 97.79 0.05 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 113.995 -1.457 . . . . 0.0 112.223 175.794 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.685 HG22 ' HG3' ' A' ' 75' ' ' LYS . 37.0 pt -129.51 170.93 17.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 114.745 -1.116 . . . . 0.0 108.431 174.38 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -91.77 154.99 18.57 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.231 0.539 . . . . 0.0 110.57 179.149 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.557 ' HA ' HG11 ' A' ' 6' ' ' VAL . 20.7 ttpt -71.28 103.3 2.8 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.975 -172.331 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.38 48.02 0.62 Allowed Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.498 -176.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -95.4 -173.96 3.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.882 0.373 . . . . 0.0 111.161 -176.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.495 ' O ' HG23 ' A' ' 72' ' ' VAL . 6.7 m -115.65 153.98 30.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.227 -179.456 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.428 ' HB2' HH12 ' A' ' 46' ' ' ARG . 14.8 t70 -59.55 -43.17 93.63 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.302 0.572 . . . . 0.0 109.941 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -53.25 -51.16 63.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.793 174.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -63.52 -38.71 92.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.588 -1.187 . . . . 0.0 111.073 -176.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 68' ' ' SER . 87.3 t -62.02 -41.54 91.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.564 177.317 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt -64.43 -38.96 92.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.836 178.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.427 ' O ' ' HG3' ' A' ' 78' ' ' GLU . 93.4 mttt -67.08 -36.89 82.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.845 177.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.685 ' HG3' HG22 ' A' ' 63' ' ' ILE . 60.0 mmtt -64.15 -31.15 72.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.77 0.319 . . . . 0.0 111.102 174.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 92.9 mt -68.86 -38.78 79.96 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 173.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -64.86 -47.86 76.37 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.248 177.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 66.5 mt-10 -61.4 -34.5 75.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.392 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.0 t -88.76 -3.7 58.7 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.065 179.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 59.17 30.79 20.63 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.508 0.671 . . . . 0.0 110.55 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.4 tp -94.9 12.74 27.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.52 -174.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.404 HG23 HD13 ' A' ' 41' ' ' ILE . 15.9 m -55.77 -47.92 76.2 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.175 -176.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -62.55 -48.73 78.22 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 121.236 0.541 . . . . 0.0 111.025 -177.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -63.56 -22.83 67.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.205 -176.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.88 -24.93 35.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.742 0.306 . . . . 0.0 110.619 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -71.01 -35.85 72.21 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-O 121.047 0.451 . . . . 0.0 110.812 178.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -61.76 127.31 30.81 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.505 -0.77 . . . . 0.0 112.072 -174.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -109.8 167.86 9.84 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.216 -178.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.91 HD13 ' HA2' ' A' ' 19' ' ' GLY . 2.2 mp -75.08 136.67 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 171.214 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -107.56 107.84 18.86 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.392 -170.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.443 ' N ' HD12 ' A' ' 91' ' ' ILE . 4.3 mp -86.53 107.48 16.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.68 177.635 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -103.08 154.17 19.55 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.489 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.449 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 26.8 ptt? -110.65 143.33 27.98 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.126 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 93' ' ' MET . 17.7 Cg_exo -66.88 109.79 1.77 Allowed 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.506 2.138 . . . . 0.0 111.063 174.643 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.4 p -73.24 106.5 5.1 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.487 0.66 . . . . 0.0 111.52 -177.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 83.8 mt . . . . . 0 C--O 1.247 0.944 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.155 179.976 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 mpp? . . . . . 0 N--CA 1.482 1.136 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -70.98 113.84 3.7 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.799 2.332 . . . . 0.0 112.052 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.79 99.72 9.86 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.909 177.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.3 mp 68.53 111.29 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 121.646 0.736 . . . . 0.0 110.505 -177.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.414 ' HG2' ' HB2' ' A' ' 8' ' ' ARG . 14.4 pt-20 -144.1 170.41 16.0 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.833 -178.281 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.9 m -80.48 114.18 21.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.574 0.702 . . . . 0.0 110.003 175.084 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.19 7.96 32.0 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.28 -177.015 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.414 ' HB2' ' HG2' ' A' ' 5' ' ' GLU . 13.4 tpt180 -84.19 103.01 13.04 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 177.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.538 HG12 HG22 ' A' ' 23' ' ' VAL . 55.4 mt -71.27 117.82 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.287 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.441 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . 44.6 m -115.75 142.51 46.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.736 -176.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.7 p -90.41 149.35 4.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.411 -178.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.492 ' HB2' ' O ' ' A' ' 20' ' ' SER . 1.9 tppp? -84.97 54.46 3.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.57 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.634 HG13 ' HG2' ' A' ' 14' ' ' LYS . 7.2 p -56.53 -40.14 66.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.604 -0.726 . . . . 0.0 112.031 -172.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.634 ' HG2' HG13 ' A' ' 13' ' ' VAL . 73.7 mmtt -105.74 83.26 1.9 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.15 0.5 . . . . 0.0 110.307 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -160.44 -92.82 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.796 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.2 mtt180 -130.89 -84.09 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.734 0.302 . . . . 0.0 110.89 178.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -95.72 -10.69 28.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.986 -176.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.483 ' O ' ' HB ' ' A' ' 89' ' ' ILE . . . 62.25 23.85 14.15 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.536 0.684 . . . . 0.0 110.274 -172.551 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.469 ' CA ' ' HB2' ' A' ' 88' ' ' LYS . . . -89.44 -38.78 6.54 Favored Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.069 -0.969 . . . . 0.0 112.696 -177.121 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.492 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 3.4 p -76.66 90.4 3.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.429 0.633 . . . . 0.0 111.2 -179.107 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -80.08 149.09 30.77 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.123 179.073 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.453 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 57.9 m -133.06 147.32 52.19 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.0 0.429 . . . . 0.0 109.945 -179.49 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.538 HG22 HG12 ' A' ' 9' ' ' ILE . 46.7 t -110.01 129.5 64.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.639 -179.016 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.575 ' HA ' HG12 ' A' ' 35' ' ' VAL . 57.6 mt -68.46 103.44 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 174.442 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.439 HG21 HG22 ' A' ' 36' ' ' THR . 92.4 t -104.16 -34.8 3.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.346 -173.772 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.516 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 3.7 t70 -142.79 165.3 27.77 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.886 0.374 . . . . 0.0 110.257 -178.391 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.2 mm -124.36 110.86 26.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.109 -174.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.455 HG21 ' NH2' ' A' ' 48' ' ' ARG . 43.7 mm -80.72 -59.03 3.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 177.773 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.523 ' OD2' ' HB2' ' A' ' 32' ' ' PHE . 3.7 p30 -137.99 -167.24 2.11 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 170.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -82.32 -11.57 58.52 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.786 0.327 . . . . 0.0 111.775 -171.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -115.76 -49.06 2.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.934 0.397 . . . . 0.0 110.399 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.523 ' HB2' ' OD2' ' A' ' 29' ' ' ASP . 36.2 m-85 -88.3 113.06 23.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.947 176.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.0 m -108.94 164.23 5.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 -178.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.516 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . 52.5 tp -103.17 114.5 28.84 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.575 HG12 ' HA ' ' A' ' 24' ' ' ILE . 27.0 m -120.0 147.73 23.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.334 178.295 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.439 HG22 HG21 ' A' ' 25' ' ' VAL . 9.0 t -140.95 140.3 34.4 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.147 0.499 . . . . 0.0 110.821 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.553 ' HA3' ' HB ' ' A' ' 44' ' ' VAL . . . -101.56 110.75 3.92 Favored Glycine 0 N--CA 1.439 -1.106 0 N-CA-C 110.071 -1.212 . . . . 0.0 110.071 171.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.649 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 61.3 Cg_exo -37.29 123.08 0.44 Allowed 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 123.956 3.104 . . . . 0.0 113.042 -175.703 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.645 ' HA ' ' HA2' ' A' ' 43' ' ' GLY . 21.8 ptmt -58.44 -26.67 63.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.438 -171.727 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -89.99 -44.46 9.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.213 0.53 . . . . 0.0 110.598 178.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.649 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 72.2 mt -70.87 -53.38 22.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.721 -173.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.0 p -124.19 -38.06 2.49 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.894 0.378 . . . . 0.0 111.644 -177.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.645 ' HA2' ' HA ' ' A' ' 39' ' ' LYS . . . 77.36 40.84 22.58 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.897 177.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.553 ' HB ' ' HA3' ' A' ' 37' ' ' GLY . 23.3 t -90.34 -23.12 6.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.004 0.431 . . . . 0.0 110.345 179.754 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 36' ' ' THR . 56.5 mttp 69.35 -178.66 0.22 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.982 -179.45 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 46' ' ' ARG . 8.6 ptp85 -98.17 144.68 27.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.906 -177.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -173.5 166.09 4.65 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.034 176.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.455 ' NH2' HG21 ' A' ' 28' ' ' ILE . 60.6 mtt180 -82.23 118.96 23.5 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 176.645 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 45.2 t -123.44 -5.58 7.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.635 0.731 . . . . 0.0 110.044 -178.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.0 m120 59.32 178.09 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.629 -1.169 . . . . 0.0 111.306 -176.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.1 pt -96.6 15.48 2.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.322 0.582 . . . . 0.0 110.423 175.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.8 mp -95.31 -9.09 34.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.325 -176.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -122.2 5.97 9.72 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.683 178.089 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.441 ' HB3' ' CB ' ' A' ' 10' ' ' CYS . 92.8 mt -120.24 132.85 55.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.192 0.52 . . . . 0.0 111.061 -175.023 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -122.7 118.76 28.36 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 175.725 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -66.03 134.16 35.96 Favored 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.588 2.192 . . . . 0.0 112.512 -178.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 81.6 p -88.24 -171.03 3.2 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.892 0.377 . . . . 0.0 110.492 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -88.19 -3.86 58.81 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.487 177.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.556 ' HB3' HD21 ' A' ' 81' ' ' LEU . 14.0 mptt -103.01 140.15 37.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.648 174.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.42 ' HE2' ' HB2' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -147.86 156.94 43.25 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.112 179.712 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.666 HG21 HD12 ' A' ' 76' ' ' LEU . 32.4 pt -116.68 172.15 4.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.691 0.282 . . . . 0.0 110.734 177.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -117.5 95.15 4.82 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.545 -176.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.6 pt -132.4 170.73 19.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.781 0.324 . . . . 0.0 110.989 -179.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.401 ' HG2' ' N ' ' A' ' 65' ' ' LYS . 48.0 tt0 -97.41 160.13 14.51 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.138 178.602 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.401 ' N ' ' HG2' ' A' ' 64' ' ' GLN . 53.6 tttm -65.94 105.1 1.24 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.058 176.008 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 107.25 61.91 0.57 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.154 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.439 ' H ' ' CG1' ' A' ' 25' ' ' VAL . . . -114.5 154.87 27.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.72 0.295 . . . . 0.0 110.827 179.612 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 32.4 m -105.15 -178.43 3.65 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.412 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -52.18 -51.99 54.74 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.865 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -60.91 -37.58 82.76 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -178.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -69.02 -47.64 64.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.907 0.384 . . . . 0.0 110.048 -178.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 94.8 t -61.86 -45.63 98.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.052 176.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.44 ' HB2' ' HE3' ' A' ' 73' ' ' LYS . 34.7 ttmt -55.83 -45.4 78.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.999 178.645 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.459 ' O ' ' HG2' ' A' ' 78' ' ' GLU . 13.4 mptt -63.28 -47.34 82.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.409 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.464 ' HD3' ' HA ' ' A' ' 75' ' ' LYS . 28.1 mmtp -68.68 -29.87 68.42 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.809 0.299 . . . . 0.0 111.809 -179.001 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.666 HD12 HG21 ' A' ' 61' ' ' ILE . 5.1 mp -64.82 -43.67 92.37 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 171.269 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -64.03 -44.94 91.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.456 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 16.3 mm-40 -52.99 -41.88 65.02 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.507 177.177 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.3 m -90.39 -5.57 55.99 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.401 -176.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 60.13 33.08 21.15 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.349 0.595 . . . . 0.0 110.279 -175.571 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.556 HD21 ' HB3' ' A' ' 59' ' ' LYS . 30.6 tp -103.73 1.6 31.98 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.867 -174.236 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.616 ' HA ' HD23 ' A' ' 76' ' ' LEU . 10.7 m -54.03 -42.16 68.85 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.701 -178.54 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -58.1 -51.8 68.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.455 -177.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -64.77 -23.26 67.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.223 -176.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -88.9 -41.59 12.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.368 -179.228 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 54.9 tttp -68.68 -46.97 67.68 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 123.291 0.369 . . . . 0.0 111.83 -175.411 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -74.59 123.78 25.46 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.469 ' HB2' ' CA ' ' A' ' 19' ' ' GLY . 65.7 pttt -71.35 150.93 44.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.106 0.479 . . . . 0.0 111.461 -174.318 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.483 ' HB ' ' O ' ' A' ' 18' ' ' ALA . 48.9 mm -75.43 148.03 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.154 -178.774 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -102.98 112.9 25.95 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -175.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 15.5 tt -76.43 146.92 8.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 175.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 50.2 mtp180 -82.14 89.86 6.52 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.867 0.365 . . . . 0.0 110.235 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.406 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 28.1 ttt -88.0 119.31 70.4 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.491 -179.269 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 93' ' ' MET . 16.3 Cg_exo -68.37 -24.97 36.44 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.885 2.39 . . . . 0.0 112.486 -178.19 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.9 m -91.54 116.45 28.88 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.633 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.3 pt? . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.837 -0.602 . . . . 0.0 110.216 178.199 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.432 HG22 ' O ' ' A' ' 4' ' ' ILE . 38.9 mm . . . . . 0 CA--C 1.532 0.26 0 CA-C-O 122.642 1.211 . . . . 0.0 108.423 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -161.74 173.45 14.62 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.0 -1.455 . . . . 0.0 108.217 -176.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.572 HG11 ' HA ' ' A' ' 65' ' ' LYS . 34.7 m -55.43 148.03 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.18 0.514 . . . . 0.0 111.86 -178.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.26 -35.13 4.32 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.967 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.42 ' HD2' ' HA ' ' A' ' 8' ' ' ARG . 6.7 tpt180 -83.05 124.8 30.78 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.794 0.331 . . . . 0.0 110.743 -177.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.504 HD11 HG23 ' A' ' 61' ' ' ILE . 56.7 mt -86.06 142.97 12.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.665 -178.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.54 ' HA ' ' HA ' ' A' ' 56' ' ' PRO . 8.7 p -128.41 163.15 25.5 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.082 178.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.8 p -145.98 151.49 14.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.61 -176.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.488 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 91.0 mttt -66.02 100.48 0.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 174.104 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--N 1.323 -0.547 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.212 -178.888 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.433 0 N-CA-C 114.008 0.363 . . . . 0.0 114.008 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.488 ' HB2' ' HD2' ' A' ' 12' ' ' LYS . 32.2 m -156.73 124.01 5.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 117.424 0.612 . . . . 0.0 110.909 177.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -122.14 137.3 54.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.767 177.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 57.3 m -144.15 160.67 40.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.938 0.399 . . . . 0.0 111.339 -174.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.404 HG21 HD11 ' A' ' 61' ' ' ILE . 12.0 p -129.29 147.54 33.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.117 175.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.54 HG12 HG12 ' A' ' 35' ' ' VAL . 62.9 mt -83.72 129.92 36.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.2 p -113.6 -35.43 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.699 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -132.59 131.44 41.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.146 0.498 . . . . 0.0 110.836 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.41 ' N ' HD12 ' A' ' 27' ' ' ILE . 4.1 mp -106.54 123.08 61.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.293 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.416 ' N ' HD12 ' A' ' 28' ' ' ILE . 3.8 mp -92.38 -43.5 13.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 177.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -160.5 -163.62 1.11 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.435 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.07 -32.28 72.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.784 0.326 . . . . 0.0 111.435 -179.274 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -101.85 -45.98 5.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.974 178.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -77.82 107.86 10.64 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.122 -174.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.7 m -132.3 150.81 33.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.996 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 tp -105.57 116.5 32.04 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.204 177.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.54 HG12 HG12 ' A' ' 24' ' ' ILE . 27.0 m -106.81 144.18 16.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.173 178.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.6 t -151.37 176.44 11.26 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.321 -177.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.483 ' HA3' ' HB ' ' A' ' 44' ' ' VAL . . . -146.51 179.02 23.8 Favored Glycine 0 N--CA 1.443 -0.834 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 176.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.81 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 23.4 Cg_exo -63.65 114.28 2.49 Favored 'Trans proline' 0 C--O 1.238 0.5 0 C-N-CA 122.576 2.184 . . . . 0.0 111.641 179.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -59.34 -59.57 5.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.01 -175.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -81.0 -15.32 56.54 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.884 -173.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.81 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 67.6 mt -88.58 -60.45 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.327 -176.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.559 ' HB ' HG23 ' A' ' 44' ' ' VAL . 4.8 m -106.65 -30.62 8.88 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.984 0.421 . . . . 0.0 111.466 -175.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.23 51.41 5.0 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.385 -175.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.559 HG23 ' HB ' ' A' ' 42' ' ' THR . 57.8 t -93.47 115.34 32.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.97 0.414 . . . . 0.0 110.454 -179.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -68.88 127.74 34.2 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.427 178.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -78.75 142.89 36.66 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.1 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -148.31 144.67 27.74 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.171 0.51 . . . . 0.0 110.882 178.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -102.02 115.47 30.61 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.773 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.4 m -125.61 169.34 17.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.445 -176.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -103.01 28.79 5.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.954 176.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 61.3 mt 56.16 82.03 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.592 -173.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 60.0 tp -83.97 -55.12 4.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.98 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 -158.31 74.51 0.7 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 177.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 54.0 tp -136.7 126.75 26.06 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.305 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.459 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 34.8 mt-10 -124.88 130.47 24.22 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-O 120.626 0.25 . . . . 0.0 110.513 -176.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.54 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 12.4 Cg_exo -70.53 152.72 65.53 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.842 2.361 . . . . 0.0 112.643 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 59' ' ' LYS . 11.3 t -99.48 -167.56 1.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.907 179.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -84.66 -26.03 28.07 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.808 -175.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.412 ' H ' HG23 ' A' ' 57' ' ' THR . 67.9 mttm -77.15 149.26 35.63 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.467 0.651 . . . . 0.0 112.096 -172.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.463 ' HE2' ' HB3' ' A' ' 60' ' ' LYS . 15.8 ttpt -141.15 140.16 34.03 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.046 -177.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.504 HG23 HD11 ' A' ' 9' ' ' ILE . 27.1 pt -100.52 160.53 3.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 175.295 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -97.71 89.96 4.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.8 0.333 . . . . 0.0 110.639 -175.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 45.7 pt -141.57 173.09 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.172 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -108.51 175.35 5.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.262 177.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.572 ' HA ' HG11 ' A' ' 6' ' ' VAL . 29.7 ttpt -83.52 115.36 22.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.12 0.486 . . . . 0.0 110.677 -178.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 108.98 52.76 0.64 Allowed Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -176.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -104.66 178.96 4.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.243 0.544 . . . . 0.0 111.309 -175.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.536 ' H ' ' HB3' ' A' ' 71' ' ' GLU . 78.0 p -129.8 174.38 9.78 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.804 178.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -59.79 -39.23 84.23 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.953 173.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -58.34 -52.46 65.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.52 176.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.536 ' HB3' ' H ' ' A' ' 68' ' ' SER . 36.9 tp10 -54.99 -55.1 34.65 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.735 -1.12 . . . . 0.0 111.191 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 98.4 t -59.86 -43.4 91.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.012 -177.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -60.94 -44.64 96.96 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -178.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -70.19 -44.63 68.32 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.362 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 75' ' ' LYS . 30.0 mmtp -70.17 -31.61 69.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.877 0.37 . . . . 0.0 111.195 -178.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 29.7 tp -70.58 -40.59 73.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.74 175.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -58.19 -50.96 71.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.448 178.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -58.28 -40.77 82.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.403 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.3 m -77.94 -2.9 39.17 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.646 -177.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 63.9 18.85 11.44 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.53 0.681 . . . . 0.0 111.342 176.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 28.2 tp -96.57 5.89 49.85 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.324 0.583 . . . . 0.0 110.226 -176.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.4 t -62.2 -43.27 99.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.773 -177.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -65.04 -40.93 95.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.723 -176.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -63.04 -36.81 84.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.779 177.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 10.2 tpt -78.33 -26.1 46.71 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.112 0.482 . . . . 0.0 110.274 -178.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 44.0 tttp -79.16 -25.71 42.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.592 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -48.34 120.6 3.73 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.416 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.0 pttp . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.787 -177.227 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.538 HG23 HD13 ' A' ' 24' ' ' ILE . 47.2 mm . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.876 0.37 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.562 ' OE1' ' HB2' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -140.43 175.2 9.8 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.08 177.356 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 42.9 t -69.93 127.95 32.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.361 -174.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.87 6.67 63.38 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.571 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.653 ' HB3' HD12 ' A' ' 24' ' ' ILE . 3.4 tpt180 -76.55 133.21 39.77 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.886 0.374 . . . . 0.0 110.722 -179.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.429 HG12 ' HA ' ' A' ' 60' ' ' LYS . 50.4 mm -83.98 114.14 24.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 173.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.9 p -116.27 140.49 49.26 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.379 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.8 p -99.6 146.98 7.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.345 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.498 ' HE3' ' HB2' ' A' ' 20' ' ' SER . 9.5 ptpt -76.99 85.74 3.51 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.082 176.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.9 t . . . . . 0 C--N 1.325 -0.485 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 178.525 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.453 ' O ' ' HG3' ' A' ' 88' ' ' LYS . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 113.541 0.176 . . . . 0.0 113.541 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.498 ' HB2' ' HE3' ' A' ' 12' ' ' LYS . 14.6 m -154.3 152.7 30.58 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 122.345 -0.503 . . . . 0.0 110.552 178.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.2 mptt -119.09 146.44 45.09 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 173.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.406 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 51.8 m -122.79 146.31 47.64 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.925 0.393 . . . . 0.0 110.254 178.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.2 t -108.29 125.78 65.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.122 -179.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.653 HD12 ' HB3' ' A' ' 8' ' ' ARG . 47.3 mt -78.51 96.71 2.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.7 m -98.05 -25.5 4.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -173.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.538 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 25.3 t70 -142.39 134.63 27.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.996 0.426 . . . . 0.0 111.093 -177.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.435 ' H ' ' HD2' ' A' ' 65' ' ' LYS . 35.0 mm -100.24 113.35 35.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.492 177.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 62.9 mt -90.02 -53.86 8.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.091 0.472 . . . . 0.0 110.483 -177.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.479 ' CG ' ' H ' ' A' ' 30' ' ' ASP . 14.4 t70 -133.33 -151.2 0.44 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.479 ' H ' ' CG ' ' A' ' 29' ' ' ASP . 37.2 t70 -74.51 -53.53 9.29 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.751 0.31 . . . . 0.0 111.011 -177.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -107.38 -27.75 10.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.805 175.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.473 ' HB2' ' HB3' ' A' ' 29' ' ' ASP . 67.6 m-85 -70.76 105.07 3.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.527 178.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.2 m -122.35 162.69 21.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.847 0.356 . . . . 0.0 110.441 178.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.538 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . 6.4 tt -103.95 116.63 32.6 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 177.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.406 ' HB ' ' HB3' ' A' ' 22' ' ' CYS . 30.2 m -113.65 151.15 15.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.524 -178.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.453 ' HB ' ' HB3' ' A' ' 46' ' ' ARG . 15.3 t -161.95 170.77 18.78 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.798 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -125.49 159.43 20.01 Favored Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 173.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.464 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 51.8 Cg_exo -53.16 122.07 10.52 Favored 'Trans proline' 0 C--O 1.237 0.442 0 C-N-CA 122.469 2.113 . . . . 0.0 111.434 178.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -65.66 -29.27 69.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.977 0.418 . . . . 0.0 110.879 -174.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.87 ' HB3' ' HE2' ' A' ' 73' ' ' LYS . 39.0 t70 -93.61 5.68 50.79 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.013 -175.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.623 HG13 ' HD3' ' A' ' 73' ' ' LYS . 65.1 mt -129.17 -79.39 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.036 0.446 . . . . 0.0 111.182 178.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.92 -40.08 61.06 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.468 -172.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.97 36.41 28.29 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.469 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.3 t -95.35 120.49 44.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 178.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.9 pttt -67.8 141.98 56.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.168 0.509 . . . . 0.0 111.45 -178.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.453 ' HB3' ' HB ' ' A' ' 36' ' ' THR . 10.6 ptm180 -82.36 131.01 35.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.269 -177.364 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -159.37 169.95 22.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.235 177.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -90.42 133.16 35.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.039 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.46 HG12 ' H ' ' A' ' 51' ' ' ILE . 41.9 t -136.77 147.4 27.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 178.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -98.14 24.88 6.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.705 0.288 . . . . 0.0 111.453 -177.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.513 ' HA ' HD23 ' A' ' 54' ' ' LEU . 17.3 mm 60.49 27.23 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 CA-C-O 121.791 0.805 . . . . 0.0 110.515 -179.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.5 tp -42.58 -46.15 4.82 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 114.698 -1.137 . . . . 0.0 112.702 -178.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.69 44.68 1.1 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.232 0.539 . . . . 0.0 110.465 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.513 HD23 ' HA ' ' A' ' 51' ' ' ILE . 3.4 mm? -109.72 159.26 17.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.715 179.002 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -151.91 130.69 6.41 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-O 120.532 0.206 . . . . 0.0 110.607 178.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -67.08 123.29 10.75 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.789 2.326 . . . . 0.0 111.73 176.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.1 p -134.63 143.94 47.58 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.713 -176.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 t70 63.45 -158.14 0.32 Allowed 'General case' 0 C--O 1.236 0.393 0 O-C-N 124.013 0.82 . . . . 0.0 110.799 172.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -78.41 147.97 33.83 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.067 0.46 . . . . 0.0 110.961 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.537 ' HE3' ' OE1' ' A' ' 5' ' ' GLU . 0.0 OUTLIER -118.05 157.39 26.91 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.09 -179.414 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 22.3 pt -86.97 124.11 40.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.144 0.497 . . . . 0.0 110.397 178.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -84.13 90.52 7.5 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.035 0.445 . . . . 0.0 110.376 -176.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 36.1 pt -127.14 173.9 11.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.829 -177.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -99.26 154.04 18.48 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.628 177.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.435 ' HD2' ' H ' ' A' ' 27' ' ' ILE . 39.0 ttpt -69.38 115.56 8.79 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 119.92 34.01 1.02 Allowed Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.528 -0.629 . . . . 0.0 111.528 -176.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.95 149.68 25.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.73 0.3 . . . . 0.0 110.609 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.405 ' O ' HG23 ' A' ' 72' ' ' VAL . 21.4 m -95.62 158.84 15.27 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.714 -178.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -58.44 -39.53 80.11 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.128 0.489 . . . . 0.0 110.872 -179.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -63.34 -51.72 64.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.93 175.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 62.2 tt0 -56.1 -46.78 78.96 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.876 -1.057 . . . . 0.0 111.573 -177.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 68' ' ' SER . 94.7 t -59.8 -48.04 89.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.646 0.26 . . . . 0.0 111.025 179.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.87 ' HE2' ' HB3' ' A' ' 40' ' ' ASP . 9.2 mtmp? -70.25 -27.0 64.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.839 0.352 . . . . 0.0 111.085 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -63.64 -42.15 98.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.514 0.673 . . . . 0.0 109.301 174.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.827 ' HE2' ' HA ' ' A' ' 75' ' ' LYS . 9.9 mmpt? -67.14 -41.14 86.62 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.433 176.068 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.3 mt -64.63 -27.51 68.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.415 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.78 -50.87 31.19 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 177.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -62.3 -36.09 81.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.328 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 47.1 t -83.81 -16.64 43.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.242 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 65.4 13.55 8.89 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.48 0.657 . . . . 0.0 110.774 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.4 tp -86.46 3.4 44.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.941 -174.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.6 t -57.99 -40.99 82.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.838 -178.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -64.23 -41.55 96.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.543 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -62.47 -42.74 99.69 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.008 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -43.66 76.7 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -178.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -56.18 -41.4 75.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.288 -178.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -48.65 126.93 12.69 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 123.751 0.657 . . . . 0.0 111.97 -173.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.459 ' HE3' ' HB2' ' A' ' 88' ' ' LYS . 23.1 ttmt . . . . . 0 C--N 1.321 -0.665 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.97 -175.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.742 HG13 HD13 ' A' ' 51' ' ' ILE . 48.6 mm . . . . . 0 C--O 1.234 0.245 0 CA-C-O 121.693 0.759 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.543 ' HB2' ' HB2' ' A' ' 8' ' ' ARG . 11.5 mp0 -98.64 139.0 35.01 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.139 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.7 m -64.37 120.51 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.13 0.49 . . . . 0.0 110.065 174.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.81 -10.13 62.26 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.061 -176.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.543 ' HB2' ' HB2' ' A' ' 5' ' ' GLU . 59.2 ttt180 -81.85 132.4 35.27 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.32 -0.518 . . . . 0.0 109.745 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.9 mm -85.61 129.79 37.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.896 -171.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.5 p -125.81 141.47 51.98 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.353 0.597 . . . . 0.0 111.412 -178.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.1 p -107.54 152.76 9.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.462 -0.79 . . . . 0.0 108.97 177.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.0 134.72 38.69 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.879 0.371 . . . . 0.0 110.409 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--N 1.321 -0.67 0 CA-C-O 122.842 1.306 . . . . 0.0 109.124 -179.896 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.298 0 N-CA-C 112.694 -0.163 . . . . 0.0 112.694 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.5 m -96.82 164.49 12.54 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 178.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -110.4 149.75 29.8 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.6 p -143.88 155.75 44.21 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.795 0.331 . . . . 0.0 110.602 177.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.3 t -111.49 133.18 57.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.415 -177.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.534 HG13 HG12 ' A' ' 35' ' ' VAL . 4.3 mp -78.37 112.27 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 174.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.0 p -99.28 -28.3 3.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -173.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -147.56 144.46 28.5 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.791 -177.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.0 mm -102.73 87.65 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.36 -178.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 54.7 mt -71.36 -46.84 62.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.376 0.608 . . . . 0.0 109.638 177.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.512 ' HB3' ' HB2' ' A' ' 32' ' ' PHE . 18.2 t70 -138.26 170.69 15.58 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.314 -0.857 . . . . 0.0 108.833 177.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -81.62 -18.83 43.34 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 120.85 0.357 . . . . 0.0 111.149 -174.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -124.74 -10.33 7.28 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.283 0.563 . . . . 0.0 110.191 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.512 ' HB2' ' HB3' ' A' ' 29' ' ' ASP . 91.2 m-85 -121.69 101.55 7.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.601 174.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.0 m -111.54 169.11 4.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.755 0.312 . . . . 0.0 111.347 -175.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -103.85 116.3 32.04 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 178.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.534 HG12 HG13 ' A' ' 24' ' ' ILE . 30.0 m -111.32 143.69 20.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.139 0.495 . . . . 0.0 110.487 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.2 t -136.97 156.28 48.65 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.773 177.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.5 176.1 18.01 Favored Glycine 0 N--CA 1.439 -1.1 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 177.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.552 ' HB2' ' H ' ' A' ' 42' ' ' THR . 38.0 Cg_exo -60.87 108.37 0.54 Allowed 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.391 2.061 . . . . 0.0 111.437 177.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -66.04 -43.93 86.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.498 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -79.96 -44.26 20.6 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.076 -178.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.447 ' HB ' ' CB ' ' A' ' 38' ' ' PRO . 68.3 mt -76.78 -60.88 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.101 -0.5 . . . . 0.0 112.036 -172.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.552 ' H ' ' HB2' ' A' ' 38' ' ' PRO . 9.9 m -91.94 -38.74 12.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.96 0.409 . . . . 0.0 111.431 -175.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.83 39.36 5.54 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.708 -176.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.503 HG23 ' HB ' ' A' ' 42' ' ' THR . 53.8 t -87.72 131.2 36.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 0.0 110.639 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -96.21 118.32 32.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.69 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.443 ' O ' ' HD2' ' A' ' 46' ' ' ARG . 4.2 ppt_? -70.66 140.39 51.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.371 0.605 . . . . 0.0 112.108 -173.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -159.99 158.39 30.51 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -82.25 133.9 35.27 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.9 m -126.05 167.46 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.133 0.492 . . . . 0.0 111.796 -173.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -107.64 132.37 53.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.417 177.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.742 HD13 HG13 ' A' ' 4' ' ' ILE . 39.7 mt -76.06 83.83 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.403 0.62 . . . . 0.0 110.366 -178.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.9 tt -119.62 -65.32 1.17 Allowed 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.268 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -109.83 49.83 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.269 0.557 . . . . 0.0 111.165 -178.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 51' ' ' ILE . 8.1 mp -109.9 130.62 55.5 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.789 177.107 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.428 ' OE2' ' HD2' ' A' ' 56' ' ' PRO . 0.5 OUTLIER -119.45 119.36 31.69 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -179.629 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.428 ' HD2' ' OE2' ' A' ' 55' ' ' GLU . 38.4 Cg_exo -62.12 133.2 42.71 Favored 'Trans proline' 0 N--CA 1.464 -0.208 0 C-N-CA 122.675 2.25 . . . . 0.0 111.693 176.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 73.2 p -87.7 -171.44 3.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -178.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -80.39 -26.55 38.48 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.956 0.408 . . . . 0.0 111.084 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -93.97 158.82 15.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.522 0.677 . . . . 0.0 112.034 -175.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -161.47 124.16 3.08 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.783 -1.098 . . . . 0.0 109.261 178.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 30.5 pt -93.63 139.15 18.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.978 0.418 . . . . 0.0 109.894 178.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -90.13 99.54 12.53 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.173 0.511 . . . . 0.0 110.648 -178.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 39.7 pt -126.63 -174.47 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.737 -178.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -104.69 165.31 11.15 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.278 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -78.2 62.63 2.95 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.528 0.68 . . . . 0.0 110.156 178.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.02 47.87 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.29 -178.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.436 ' HB1' ' HB3' ' A' ' 71' ' ' GLU . . . -120.32 120.33 35.72 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 120.726 0.298 . . . . 0.0 110.25 -178.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.0 m -91.68 -172.9 3.36 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.004 -176.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -53.56 -24.76 14.53 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.799 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.06 -51.76 35.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.591 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.436 ' HB3' ' HB1' ' A' ' 67' ' ' ALA . 46.2 tp10 -72.49 -36.59 68.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.873 -179.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 95.3 t -59.45 -37.84 71.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.005 0.431 . . . . 0.0 110.109 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.566 ' HZ2' ' HB2' ' A' ' 73' ' ' LYS . 4.4 ttmp? -64.8 -39.52 93.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.479 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -58.72 -52.07 67.27 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.15 0.5 . . . . 0.0 110.06 176.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.703 ' HA ' ' HE2' ' A' ' 75' ' ' LYS . 10.4 mmpt? -59.51 -44.45 93.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.979 -178.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.526 HD21 ' HG3' ' A' ' 85' ' ' MET . 5.5 mp -59.7 -39.21 83.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.232 178.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -65.06 -49.45 70.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.579 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -56.49 -44.68 80.92 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.407 178.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.3 m -85.01 -7.97 58.92 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.977 -176.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 58.51 37.24 25.56 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.737 0.779 . . . . 0.0 109.513 -176.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.512 ' HG ' ' HB3' ' A' ' 84' ' ' TYR . 15.1 tp -106.23 22.37 15.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.598 -171.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.5 m -59.48 -50.88 72.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.966 -176.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -59.85 -35.9 75.73 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.145 0.497 . . . . 0.0 110.865 -176.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.512 ' HB3' ' HG ' ' A' ' 81' ' ' LEU . 82.5 t80 -52.78 -39.95 62.75 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.921 -177.165 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.526 ' HG3' HD21 ' A' ' 76' ' ' LEU . 24.2 mmt -83.14 -26.59 30.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.81 0.338 . . . . 0.0 111.877 -176.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -92.3 -11.06 36.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.321 0.581 . . . . 0.0 110.206 -177.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -70.79 129.23 38.56 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.181 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 65.3 pttt . . . . . 0 C--N 1.318 -0.786 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 170.254 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.3 mm . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 121.374 0.606 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -115.27 131.19 57.01 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.064 177.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.9 m -57.57 119.11 2.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.341 0.591 . . . . 0.0 110.109 175.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.66 -16.91 10.33 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.013 -177.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.529 ' HA ' ' NE ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -90.37 103.82 16.46 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 121.127 0.489 . . . . 0.0 109.958 177.078 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.601 HG13 HG22 ' A' ' 23' ' ' VAL . 4.3 mp -68.86 118.55 13.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 173.118 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.588 ' SG ' HD23 ' A' ' 54' ' ' LEU . 3.6 p -102.22 152.09 21.45 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 120.992 0.425 . . . . 0.0 110.866 -176.211 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.6 p -124.2 143.48 37.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.51 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -83.7 81.39 8.77 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.289 179.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.8 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 115.47 -0.786 . . . . 0.0 112.52 -172.895 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.687 0 N-CA-C 113.562 0.185 . . . . 0.0 113.562 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 p -162.8 136.03 5.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.185 0.517 . . . . 0.0 111.89 176.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.33 153.85 37.2 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.114 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.552 ' HB2' ' HB ' ' A' ' 35' ' ' VAL . 7.8 p -148.34 155.3 41.11 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.128 0.489 . . . . 0.0 111.674 -177.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.601 HG22 HG13 ' A' ' 9' ' ' ILE . 22.5 t -112.37 131.01 65.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.033 177.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 60.4 mt -77.84 116.65 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 177.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.2 m -107.23 -31.2 2.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -144.39 147.12 33.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.831 0.348 . . . . 0.0 110.66 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.435 HG23 HG12 ' A' ' 33' ' ' VAL . 62.4 mt -116.3 114.63 46.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.507 -177.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.407 HD12 ' N ' ' A' ' 28' ' ' ILE . 3.7 mp -84.22 -56.25 5.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.035 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -137.62 -165.06 1.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.989 176.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -84.15 -8.48 59.07 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -171.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -121.6 -42.91 2.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.069 -0.394 . . . . 0.0 111.136 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -101.35 120.24 39.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.363 0.601 . . . . 0.0 111.044 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.435 HG12 HG23 ' A' ' 27' ' ' ILE . 27.2 m -123.62 167.81 16.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.346 178.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 61.8 tp -97.59 116.12 29.18 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 177.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.552 ' HB ' ' HB2' ' A' ' 22' ' ' CYS . 26.9 m -120.13 149.77 22.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.018 -178.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.0 t -157.74 171.47 20.25 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.382 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.606 ' HA3' ' HB ' ' A' ' 44' ' ' VAL . . . -125.74 162.39 19.98 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.413 -0.898 . . . . 0.0 111.28 175.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -66.2 143.59 71.67 Favored 'Trans proline' 0 C--O 1.237 0.466 0 C-N-CA 122.453 2.102 . . . . 0.0 111.751 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.45 -166.02 1.39 Allowed 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 176.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 67.37 -57.43 0.44 Allowed 'General case' 0 C--N 1.321 -0.671 0 O-C-N 124.115 0.884 . . . . 0.0 111.273 -178.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 58.9 mt -88.95 -73.45 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.275 -176.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.6 m -90.1 -50.3 6.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.797 0.332 . . . . 0.0 111.23 -175.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.12 44.49 11.61 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.899 177.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.606 ' HB ' ' HA3' ' A' ' 37' ' ' GLY . 39.6 t -78.22 118.09 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 177.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.48 139.33 42.16 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.191 -178.102 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.0 ptt180 -72.29 149.24 44.66 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.389 0.614 . . . . 0.0 112.217 -172.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -158.23 150.93 22.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.203 -178.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 -92.94 109.82 21.27 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 173.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.7 t -122.53 157.92 27.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.205 -175.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -85.14 148.73 25.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.066 177.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 36.7 pt -84.67 8.2 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -176.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 46.2 tp -78.25 -11.0 59.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.907 0.384 . . . . 0.0 111.466 -175.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.417 ' C ' HD12 ' A' ' 54' ' ' LEU . 40.3 m170 -121.76 14.32 10.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.719 0.295 . . . . 0.0 110.989 -178.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.588 HD23 ' SG ' ' A' ' 10' ' ' CYS . 8.9 mp -118.58 128.18 54.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.041 -175.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.483 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 4.3 mm-40 -112.96 120.23 41.04 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.385 177.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.484 ' HB3' ' HG3' ' A' ' 8' ' ' ARG . 6.2 Cg_exo -80.24 134.17 10.15 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 123.28 2.653 . . . . 0.0 112.129 176.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 45.6 p -72.18 165.61 24.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.213 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -66.56 -24.91 66.42 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.767 -178.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -65.97 150.53 48.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.472 177.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -158.68 124.89 4.58 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.002 0.429 . . . . 0.0 111.208 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 15.4 pt -104.42 116.93 49.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 170.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -79.51 105.08 10.57 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.364 -170.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 38.4 pt -125.67 -169.45 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.338 176.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -121.95 -174.51 2.9 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.092 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -84.89 130.64 34.62 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 121.104 -0.238 . . . . 0.0 110.475 -177.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 120.29 24.87 2.58 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.233 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.84 128.93 34.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.799 0.333 . . . . 0.0 110.741 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.489 ' O ' HG23 ' A' ' 72' ' ' VAL . 22.3 p -94.73 169.59 10.05 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.188 -178.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.07 -48.82 70.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.504 178.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.558 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 3.7 tp10 -59.97 -42.58 94.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.543 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -60.34 -42.82 96.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.067 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.499 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 69.7 t -61.15 -47.38 93.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.577 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.558 ' HE3' ' HA ' ' A' ' 70' ' ' GLU . 37.8 mtmt -59.97 -40.95 90.81 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.97 0.414 . . . . 0.0 110.796 176.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.413 ' HE2' ' HG2' ' A' ' 75' ' ' LYS . 1.0 OUTLIER -56.35 -46.85 79.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.787 177.577 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.413 ' HG2' ' HE2' ' A' ' 74' ' ' LYS . 21.7 mtpp -80.17 -23.26 41.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.125 -175.324 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 64.8 mt -66.18 -33.59 76.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.107 0.48 . . . . 0.0 109.864 173.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -65.25 -42.33 93.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.546 177.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -61.92 -43.84 98.02 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.188 0.518 . . . . 0.0 110.648 177.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.3 m -76.82 -17.65 58.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.749 -175.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 15.9 m120 63.93 23.08 13.22 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.37 0.605 . . . . 0.0 110.212 -176.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 30.5 tp -91.9 0.01 57.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.236 -176.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.0 m -54.03 -42.94 69.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.869 -177.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.564 ' O ' ' HB2' ' A' ' 87' ' ' GLU . 50.4 mt-10 -64.72 -41.11 96.21 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.459 -178.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -74.68 -31.13 61.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.945 0.403 . . . . 0.0 110.756 -174.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.49 -38.14 49.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.115 0.483 . . . . 0.0 109.877 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -74.15 -31.9 62.92 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.83 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.564 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -77.32 -175.69 3.82 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 178.069 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.477 ' H ' ' CD ' ' A' ' 87' ' ' GLU . 24.7 tptt . . . . . 0 C--N 1.33 -0.258 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.3 mm . . . . . 0 N--CA 1.455 -0.199 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -163.68 -170.65 2.26 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.42 -176.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.524 HG11 ' HB2' ' A' ' 65' ' ' LYS . 31.7 m -68.92 139.86 19.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.204 0.526 . . . . 0.0 109.97 177.071 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.59 9.3 72.28 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.518 -0.848 . . . . 0.0 112.175 -177.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -74.09 106.49 5.79 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 58.1 mt -82.62 121.25 35.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.232 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.549 ' HA ' ' HA ' ' A' ' 56' ' ' PRO . 4.7 p -140.72 156.97 46.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.059 -176.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.6 p -117.83 147.61 21.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.33 178.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.436 ' HZ3' HD11 ' A' ' 54' ' ' LEU . 47.1 tptt -72.97 125.14 26.9 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.18 -179.348 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.1 p . . . . . 0 N--CA 1.45 -0.428 0 CA-C-O 123.016 1.388 . . . . 0.0 109.803 -177.885 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.423 0 N-CA-C 111.771 -0.532 . . . . 0.0 111.771 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.5 m -77.25 105.37 8.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.735 0.302 . . . . 0.0 110.301 178.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.586 ' HE2' ' O ' ' A' ' 84' ' ' TYR . 30.7 mttp -101.7 133.01 47.08 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.741 -177.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.565 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 58.4 m -141.01 148.56 40.47 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.44 -178.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.482 HG11 HD11 ' A' ' 61' ' ' ILE . 60.1 t -123.71 137.06 58.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.17 -178.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.4 mt -67.52 108.86 1.33 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.356 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 176.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.489 HG21 HG22 ' A' ' 36' ' ' THR . 57.5 t -109.53 -36.46 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.805 0.336 . . . . 0.0 111.02 -179.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.533 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 20.5 t0 -139.82 143.34 36.77 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.46 179.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.411 HG23 HG12 ' A' ' 33' ' ' VAL . 70.0 mt -113.74 115.66 50.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.028 0.442 . . . . 0.0 110.483 -177.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.423 ' N ' HD12 ' A' ' 28' ' ' ILE . 3.7 mp -96.81 -63.89 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.964 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -107.56 -159.1 0.68 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -179.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -80.06 -57.43 3.63 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.024 0.44 . . . . 0.0 110.738 -178.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.573 HD21 ' HB2' ' A' ' 52' ' ' LEU . 24.0 t-20 -94.93 -34.12 12.52 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-O 121.282 0.563 . . . . 0.0 109.854 179.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -84.63 104.29 14.49 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.76 -176.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.411 HG12 HG23 ' A' ' 27' ' ' ILE . 29.1 m -119.29 170.84 8.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.729 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.533 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . 56.2 tp -100.23 115.83 30.8 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 178.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.565 ' HB ' ' HB3' ' A' ' 22' ' ' CYS . 35.2 m -112.54 150.76 14.64 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.891 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 176.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.489 HG22 HG21 ' A' ' 25' ' ' VAL . 14.8 t -151.18 144.86 25.03 Favored 'General case' 0 C--N 1.312 -1.023 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.787 179.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.485 ' HA3' ' HB ' ' A' ' 44' ' ' VAL . . . -112.45 146.8 18.25 Favored Glycine 0 N--CA 1.441 -1.0 0 N-CA-C 109.866 -1.293 . . . . 0.0 109.866 171.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -49.02 122.65 8.68 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.959 2.439 . . . . 0.0 112.608 -175.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.0 ptmm? -71.22 -21.27 62.16 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.035 0.445 . . . . 0.0 110.647 -176.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -84.72 -33.88 23.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.665 -178.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.4 mt -130.26 107.52 14.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.127 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.529 ' OG1' ' HA ' ' A' ' 86' ' ' LYS . 7.9 m 71.7 86.06 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 O-C-N 123.862 0.726 . . . . 0.0 110.196 -175.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.21 77.24 0.58 Allowed Glycine 0 N--CA 1.453 -0.196 0 CA-C-N 115.652 -0.704 . . . . 0.0 113.708 -172.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.485 ' HB ' ' HA3' ' A' ' 37' ' ' GLY . 42.9 t -82.73 -23.96 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.096 0.474 . . . . 0.0 109.906 174.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 36' ' ' THR . 95.5 mttt 66.72 -161.93 0.24 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.371 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 46' ' ' ARG . 16.3 ptt180 -122.87 135.22 54.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.29 -179.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -169.51 161.22 9.56 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -95.65 123.91 39.43 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 176.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.1 m -139.26 22.85 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 111.546 0.202 . . . . 0.0 111.546 -175.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.512 ' HB2' ' OD1' ' A' ' 31' ' ' ASN . 8.1 p30 52.51 175.14 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.784 1.234 . . . . 0.0 112.577 -174.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 11.5 pt -119.23 -11.99 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 N-CA-C 112.354 0.502 . . . . 0.0 112.354 -177.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.573 ' HB2' HD21 ' A' ' 31' ' ' ASN . 3.5 tt -67.57 -45.53 75.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.978 0.418 . . . . 0.0 110.217 -176.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.408 ' C ' HD12 ' A' ' 54' ' ' LEU . 40.3 m-70 -94.34 26.74 3.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.161 0.505 . . . . 0.0 111.335 -177.385 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 50' ' ' ASN . 8.1 mp -124.79 136.89 54.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.443 -0.799 . . . . 0.0 108.9 170.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -109.96 128.99 24.43 Favored Pre-proline 0 C--N 1.318 -0.801 0 CA-C-O 120.833 0.349 . . . . 0.0 110.266 -176.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.549 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 87.7 Cg_endo -80.65 160.08 21.94 Favored 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 122.969 2.446 . . . . 0.0 113.263 -174.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 59.3 p -92.95 178.93 5.6 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.18 175.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -79.25 -4.58 51.38 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.914 0.388 . . . . 0.0 110.808 178.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -106.69 149.1 27.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.179 0.514 . . . . 0.0 111.176 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.1 ttpp -141.23 154.11 45.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.167 -0.924 . . . . 0.0 108.809 176.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.482 HD11 HG11 ' A' ' 23' ' ' VAL . 21.2 pt -116.66 157.53 17.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 174.25 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.91 46.6 1.12 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.177 0.513 . . . . 0.0 110.638 -174.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.7 pp -73.38 175.51 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.226 178.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -96.88 146.99 24.42 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.417 -176.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.524 ' HB2' HG11 ' A' ' 6' ' ' VAL . 7.7 ttpm? -65.65 112.95 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 177.181 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.23 37.77 5.85 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.23 -177.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.2 163.21 23.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.722 0.296 . . . . 0.0 110.466 176.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.436 ' O ' HG23 ' A' ' 72' ' ' VAL . 48.1 p -95.77 166.97 11.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.162 -178.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.453 ' O ' ' HG3' ' A' ' 73' ' ' LYS . 10.8 t70 -56.66 -35.07 67.98 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.739 176.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.47 ' HA ' ' NZ ' ' A' ' 73' ' ' LYS . 3.7 tp10 -64.69 -51.05 64.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.103 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.615 ' HA ' ' HD3' ' A' ' 74' ' ' LYS . 31.7 tp10 -59.4 -42.71 92.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.422 -178.018 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 68' ' ' SER . 97.7 t -60.8 -45.05 98.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.428 -179.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.47 ' NZ ' ' HA ' ' A' ' 70' ' ' GLU . 34.0 mtmm -65.89 -37.29 85.73 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 120.543 0.211 . . . . 0.0 111.263 -178.09 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.615 ' HD3' ' HA ' ' A' ' 71' ' ' GLU . 45.0 mtpt -60.29 -56.78 17.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.583 0.706 . . . . 0.0 110.284 177.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.444 ' HD3' ' HA ' ' A' ' 75' ' ' LYS . 26.3 mmtp -62.75 -32.13 73.21 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.909 -1.042 . . . . 0.0 111.604 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.4 HD12 ' HB3' ' A' ' 81' ' ' LEU . 41.2 tp -65.68 -41.2 92.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.896 0.379 . . . . 0.0 110.158 176.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.66 -40.51 92.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.062 179.053 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -59.79 -36.74 77.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.502 178.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.1 m -87.7 -10.51 50.97 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.754 0.311 . . . . 0.0 111.234 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 63.35 24.8 14.37 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.809 0.814 . . . . 0.0 110.375 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.4 ' HB3' HD12 ' A' ' 76' ' ' LEU . 21.6 tp -90.47 8.77 32.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.481 -175.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.6 m -55.81 -39.95 72.06 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.529 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -57.66 -51.88 67.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.132 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.586 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 13.4 t80 -67.12 -29.96 69.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.152 -172.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 19.7 mmt -72.32 -39.94 67.84 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 120.898 0.38 . . . . 0.0 111.188 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.529 ' HA ' ' OG1' ' A' ' 42' ' ' THR . 88.9 tttt -76.49 -58.31 3.35 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.594 -175.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -101.61 130.05 47.86 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.105 0.479 . . . . 0.0 111.419 -170.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.07 177.187 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 39.9 mm . . . . . 0 CA--C 1.533 0.318 0 CA-C-O 121.84 0.828 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.406 ' HG2' ' H ' ' A' ' 6' ' ' VAL . 13.2 tt0 -176.37 -167.33 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 177.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.56 HG12 ' HA ' ' A' ' 25' ' ' VAL . 33.8 m -69.67 148.3 11.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.214 0.531 . . . . 0.0 111.596 -177.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.559 ' O ' ' HB2' ' A' ' 60' ' ' LYS . . . 94.7 -33.43 5.35 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.78 -0.724 . . . . 0.0 113.413 173.182 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.439 HH21 ' HA ' ' A' ' 58' ' ' ASP . 6.2 tpt180 -84.16 113.82 21.34 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.854 0.327 . . . . 0.0 110.599 -176.08 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.723 HG12 ' HA ' ' A' ' 60' ' ' LYS . 51.1 mm -71.7 125.81 30.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.32 -179.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 56' ' ' PRO . 56.5 m -123.59 146.71 47.95 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.202 -177.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.4 p -112.35 141.03 29.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.061 0.458 . . . . 0.0 110.999 -177.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.964 ' HD3' ' HB2' ' A' ' 20' ' ' SER . 50.6 mtpt -70.24 125.68 27.48 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.343 178.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.462 HG22 ' HA ' ' A' ' 54' ' ' LEU . 14.9 m . . . . . 0 C--N 1.324 -0.53 0 CA-C-O 121.498 0.666 . . . . 0.0 111.745 -174.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.434 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.964 ' HB2' ' HD3' ' A' ' 12' ' ' LYS . 5.9 m -130.35 113.66 14.63 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 178.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.489 ' NZ ' ' HB3' ' A' ' 87' ' ' GLU . 8.9 mptt -102.62 138.66 39.23 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 175.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 83.4 m -140.77 159.95 41.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.731 0.3 . . . . 0.0 110.652 -176.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.3 t -120.0 140.57 43.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.345 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 59.0 mt -93.18 131.45 40.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 175.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.56 ' HA ' HG12 ' A' ' 6' ' ' VAL . 11.8 m -122.08 -37.4 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -177.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.498 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 43.3 t0 -127.1 126.8 43.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.171 0.51 . . . . 0.0 110.751 -176.173 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.6 mm -95.06 102.28 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.542 -178.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 41.0 mm -79.86 -43.8 22.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.434 0.635 . . . . 0.0 110.316 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.503 ' CG ' ' H ' ' A' ' 30' ' ' ASP . 28.7 t70 -150.94 -172.18 4.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.202 -0.908 . . . . 0.0 108.885 -178.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.503 ' H ' ' CG ' ' A' ' 29' ' ' ASP . 4.3 m-20 -88.24 -19.83 26.3 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 120.923 0.392 . . . . 0.0 110.232 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -106.04 -32.69 8.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.561 175.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.428 ' HA ' ' HA ' ' A' ' 50' ' ' ASN . 97.1 m-85 -110.02 134.18 52.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.027 -177.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.8 m -136.9 173.95 12.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.735 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.498 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . 5.9 tt -109.92 115.47 29.86 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 173.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 30.8 m -106.82 149.5 10.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.668 -178.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.2 t -125.91 138.93 53.81 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.584 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.56 ' HA3' ' HB ' ' A' ' 44' ' ' VAL . . . -107.78 160.28 14.03 Favored Glycine 0 N--CA 1.441 -0.974 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 175.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.77 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 50.9 Cg_endo -72.4 95.91 0.79 Allowed 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 122.436 2.091 . . . . 0.0 112.387 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.505 ' O ' ' HE3' ' A' ' 73' ' ' LYS . 14.8 tmtt? -75.9 144.31 41.21 Favored 'General case' 0 N--CA 1.436 -1.159 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 177.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.494 ' HB2' ' O ' ' A' ' 39' ' ' LYS . 17.4 m-20 77.42 -27.66 0.17 Allowed 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.559 -1.201 . . . . 0.0 111.305 -173.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.77 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 75.3 mt -82.92 -59.77 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.745 0.307 . . . . 0.0 110.227 177.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.489 ' OG1' ' HG2' ' A' ' 38' ' ' PRO . 23.5 p -111.92 -54.71 2.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.995 0.426 . . . . 0.0 110.35 175.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.71 14.31 4.8 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.55 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.56 ' HB ' ' HA3' ' A' ' 37' ' ' GLY . 60.9 t -66.32 126.05 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.759 0.314 . . . . 0.0 110.801 178.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -78.24 158.14 29.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.065 -177.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 -125.65 132.71 52.4 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.543 -171.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.73 -178.89 2.34 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.174 175.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -80.02 131.74 35.85 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.712 0.291 . . . . 0.0 110.726 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.481 HG22 ' H ' ' A' ' 50' ' ' ASN . 8.9 p -157.56 172.09 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 -177.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.481 ' H ' HG22 ' A' ' 49' ' ' VAL . 26.4 p-10 -72.11 -177.04 1.94 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.837 0.351 . . . . 0.0 111.02 179.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.455 ' O ' HD22 ' A' ' 54' ' ' LEU . 23.5 pt -58.99 -22.03 20.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -177.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 43.5 tp 72.4 -11.32 0.83 Allowed 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 172.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 67.77 83.0 0.17 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.757 0.789 . . . . 0.0 110.206 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.472 ' H ' HD23 ' A' ' 54' ' ' LEU . 1.4 pt? -137.19 164.55 28.22 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.179 -178.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.481 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 43.7 mt-10 -125.5 134.76 26.12 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.791 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 55' ' ' GLU . 6.7 Cg_exo -73.21 142.98 34.81 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.879 2.386 . . . . 0.0 112.411 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 40.6 p -99.89 177.24 5.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.64 176.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.439 ' HA ' HH21 ' A' ' 8' ' ' ARG . 0.6 OUTLIER -80.3 -38.85 29.93 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.908 -179.472 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -75.99 134.28 40.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.25 0.547 . . . . 0.0 109.878 178.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.723 ' HA ' HG12 ' A' ' 9' ' ' ILE . 17.6 pttp -148.33 -167.75 2.9 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.861 -176.233 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.407 HG13 ' HA2' ' A' ' 7' ' ' GLY . 20.2 pt -120.17 -170.39 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 175.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.49 ' HB3' ' HE2' ' A' ' 75' ' ' LYS . 25.0 t70 -141.04 94.87 2.76 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -177.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.9 pt -136.45 175.61 9.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.163 -174.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -94.73 145.27 24.98 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.778 177.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.558 ' HA ' HG11 ' A' ' 6' ' ' VAL . 33.5 ttpt -69.18 112.06 5.53 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.128 0.49 . . . . 0.0 110.499 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 114.75 1.73 22.72 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.843 -175.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.75 145.11 35.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.976 0.417 . . . . 0.0 111.861 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.1 m -92.03 175.76 6.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.918 -179.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -56.82 -40.51 76.13 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.189 -0.46 . . . . 0.0 112.146 -175.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 0.8 OUTLIER -56.52 -49.47 74.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.122 0.487 . . . . 0.0 110.094 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -66.39 -40.97 90.0 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.905 -178.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.55 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 93.1 t -62.28 -48.59 87.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.325 177.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.505 ' HE3' ' O ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -55.69 -45.17 77.86 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.708 -178.802 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' A' ' 70' ' ' GLU . 32.7 mmtp -62.62 -47.04 85.47 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.465 -179.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.49 ' HE2' ' HB3' ' A' ' 62' ' ' ASP . 30.7 tptt -67.06 -33.73 76.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.95 -177.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 88.6 mt -60.89 -41.9 96.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.969 174.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -67.96 -46.39 71.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.711 178.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -53.76 -45.17 70.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.412 178.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.1 m -81.65 -7.61 59.61 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.343 -177.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.5 t30 60.55 26.48 16.14 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.773 0.797 . . . . 0.0 109.339 -175.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.52 HD21 HG13 ' A' ' 9' ' ' ILE . 43.7 tp -74.75 -19.31 60.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.2 -176.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.9 m -51.95 -35.14 45.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.177 178.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -61.29 -51.49 68.66 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.396 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.477 ' CZ ' ' HE2' ' A' ' 21' ' ' LYS . 53.9 t80 -78.28 -32.52 49.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.935 -179.143 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 12.6 ttt -72.7 -22.82 60.83 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.659 0.266 . . . . 0.0 111.347 -174.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -85.7 0.31 53.1 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.289 0.566 . . . . 0.0 110.205 178.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.489 ' HB3' ' NZ ' ' A' ' 21' ' ' LYS . 29.0 tt0 -64.99 111.37 2.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.288 0.566 . . . . 0.0 110.085 177.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 50.4 pttt . . . . . 0 C--N 1.319 -0.752 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.748 -171.326 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.466 HG13 HD13 ' A' ' 51' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.446 -0.656 0 CA-C-O 121.014 0.435 . . . . 0.0 110.953 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.531 ' HA ' HD11 ' A' ' 27' ' ' ILE . 26.4 tt0 -154.09 175.4 13.48 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 177.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.595 HG21 ' HA ' ' A' ' 65' ' ' LYS . 7.9 p -56.65 133.01 21.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.237 0.541 . . . . 0.0 111.369 -179.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.09 -4.52 67.78 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.483 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.557 ' HB3' HD12 ' A' ' 24' ' ' ILE . 24.1 tpt85 -79.56 101.21 8.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.838 0.351 . . . . 0.0 110.548 -178.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.607 HG12 HG22 ' A' ' 23' ' ' VAL . 58.6 mt -69.12 128.7 33.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.009 176.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.619 ' HA ' ' HA ' ' A' ' 56' ' ' PRO . 39.8 m -132.63 151.22 52.01 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.031 -178.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.5 p -118.67 151.28 20.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.108 0.48 . . . . 0.0 110.982 -175.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 48.9 mmtm -78.67 95.35 5.25 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 174.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.5 p . . . . . 0 C--N 1.325 -0.473 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.047 -175.238 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.243 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.5 m -79.28 95.75 5.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.063 0.458 . . . . 0.0 110.328 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -105.56 137.37 43.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.289 -177.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 33.0 m -133.95 151.78 51.61 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.15 -177.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.607 HG22 HG12 ' A' ' 9' ' ' ILE . 46.5 t -110.08 130.24 63.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.517 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.557 HD12 ' HB3' ' A' ' 8' ' ' ARG . 63.0 mt -70.13 112.96 5.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.743 174.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.3 m -109.2 -30.17 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -177.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.572 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 18.2 t70 -139.32 118.45 12.65 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.946 0.403 . . . . 0.0 110.62 -179.136 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.531 HD11 ' HA ' ' A' ' 5' ' ' GLU . 53.4 mt -85.29 96.5 4.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.898 178.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 52.9 mt -74.66 -62.59 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.561 ' HB2' ' HB3' ' A' ' 32' ' ' PHE . 2.2 m-20 -125.31 -167.49 1.69 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.566 177.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -79.55 -31.77 42.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.612 0.244 . . . . 0.0 111.467 -178.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.4 ' O ' HG13 ' A' ' 51' ' ' ILE . 13.2 t-20 -117.4 -25.78 6.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.991 0.424 . . . . 0.0 110.707 177.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.561 ' HB3' ' HB2' ' A' ' 29' ' ' ASP . 25.0 t80 -89.51 120.6 30.97 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 176.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.44 HG22 ' N ' ' A' ' 34' ' ' LEU . 11.4 p -139.54 162.21 26.76 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 CA-C-O 121.34 0.591 . . . . 0.0 111.328 -172.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.572 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . 60.3 tp -109.65 116.82 32.45 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.264 177.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.407 HG12 ' HA ' ' A' ' 24' ' ' ILE . 31.2 m -121.63 151.37 25.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.041 0.448 . . . . 0.0 110.968 -177.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.3 t -148.57 166.85 27.01 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 175.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.534 ' HA3' ' HB ' ' A' ' 44' ' ' VAL . . . -139.14 116.69 1.27 Allowed Glycine 0 N--CA 1.44 -1.055 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 177.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.759 ' HG2' HD12 ' A' ' 76' ' ' LEU . 26.4 Cg_exo -30.87 111.89 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 124.345 3.363 . . . . 0.0 113.264 -176.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.855 ' HA ' ' HA2' ' A' ' 43' ' ' GLY . 59.9 mttp -78.88 0.79 25.84 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.069 -170.174 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.791 ' HB3' ' HD2' ' A' ' 73' ' ' LYS . 18.3 t70 -99.92 -15.98 18.15 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.7 0.762 . . . . 0.0 109.61 171.028 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.594 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 72.6 mt -102.75 -63.05 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.025 -176.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.486 HG23 HG23 ' A' ' 44' ' ' VAL . 9.5 t -115.86 -31.35 5.8 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.988 0.423 . . . . 0.0 110.739 -177.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.855 ' HA2' ' HA ' ' A' ' 39' ' ' LYS . . . 81.48 65.73 1.65 Allowed Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.725 177.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.534 ' HB ' ' HA3' ' A' ' 37' ' ' GLY . 90.0 t -111.98 119.31 59.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 175.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.705 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 24.8 mtpp -71.25 153.21 42.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.951 -178.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -70.38 124.29 23.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.109 0.481 . . . . 0.0 110.405 -178.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -148.75 142.41 25.5 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.076 -178.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 59.5 mtm180 -87.82 114.12 24.13 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 178.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.4 t -122.44 143.83 33.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.768 -173.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -83.78 135.09 34.67 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.933 174.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.466 HD13 HG13 ' A' ' 4' ' ' ILE . 52.2 mt -67.02 -8.98 8.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.366 0.603 . . . . 0.0 110.699 -178.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 38.9 tp -63.52 -11.94 28.2 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.379 177.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -130.83 27.39 4.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.732 0.301 . . . . 0.0 110.485 177.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 30.8 tp -137.15 126.4 24.72 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.922 -175.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -121.77 136.47 26.13 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 120.893 0.378 . . . . 0.0 110.314 178.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.619 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 90.1 Cg_endo -77.67 158.4 31.92 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.87 2.38 . . . . 0.0 113.704 -174.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.562 HG22 ' H ' ' A' ' 58' ' ' ASP . 0.9 OUTLIER -86.66 -175.4 5.41 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 175.461 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.562 ' H ' HG22 ' A' ' 57' ' ' THR . 5.4 m-20 -53.44 -74.58 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -176.198 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -105.6 167.33 9.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.297 0.57 . . . . 0.0 112.25 -172.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -112.37 141.02 46.61 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.512 -178.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.6 pt -86.37 142.79 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 176.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -93.09 93.07 8.1 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.156 0.503 . . . . 0.0 111.235 -173.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 34.8 pt -115.29 179.54 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.888 176.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -97.19 140.62 31.42 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.461 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.595 ' HA ' HG21 ' A' ' 6' ' ' VAL . 1.7 tmmt? -61.5 126.44 27.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.523 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.61 49.24 3.95 Favored Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -175.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -99.39 153.25 19.14 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.881 0.372 . . . . 0.0 111.123 -176.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.9 p -92.9 171.12 9.17 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.404 178.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.453 ' OD1' ' HA ' ' A' ' 38' ' ' PRO . 7.7 t70 -60.88 -35.57 76.96 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -63.38 -47.84 80.35 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.085 176.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -58.19 -51.08 71.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.673 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 44.6 t -62.87 -39.28 84.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.477 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.791 ' HD2' ' HB3' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -62.3 -47.11 85.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.209 179.028 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt -64.29 -42.31 96.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.203 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.75 -43.42 88.98 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.824 0.345 . . . . 0.0 110.512 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.759 HD12 ' HG2' ' A' ' 38' ' ' PRO . 21.4 mt -64.0 -33.24 75.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.373 178.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -76.38 -40.97 49.59 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.984 0.421 . . . . 0.0 110.081 178.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -59.41 -49.88 76.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.316 177.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.1 m -76.1 -8.34 56.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.387 178.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 62.36 21.32 12.46 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.152 177.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 30.2 tp -83.32 -7.23 59.62 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.3 t -53.66 -32.78 52.89 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.547 173.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -57.96 -51.52 69.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.487 177.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -71.6 -22.03 61.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.726 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 11.3 tpt -71.21 -31.29 67.42 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 177.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.68 -37.56 30.55 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 120.884 0.373 . . . . 0.0 110.347 174.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.33 128.02 34.32 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.068 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.512 ' NZ ' ' HB2' ' A' ' 88' ' ' LYS . 4.1 ttmp? . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.254 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.1 mm . . . . . 0 C--O 1.233 0.213 0 CA-C-O 121.441 0.639 . . . . 0.0 110.125 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.445 ' HB3' ' HB2' ' A' ' 8' ' ' ARG . 12.2 tp10 -91.28 140.34 29.88 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.224 -174.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.3 m -64.35 109.92 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.626 0.727 . . . . 0.0 110.968 -178.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.97 -1.01 62.84 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.26 -0.882 . . . . 0.0 113.174 178.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.544 ' HA ' ' HA ' ' A' ' 60' ' ' LYS . 27.3 ttt180 -85.05 116.97 23.73 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 118.002 0.901 . . . . 0.0 109.938 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 64.2 mt -68.34 131.23 33.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.436 -175.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 56' ' ' PRO . 57.0 m -120.09 157.87 28.05 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.591 -176.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.6 p -126.14 145.58 33.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 177.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.577 ' HE3' ' SG ' ' A' ' 22' ' ' CYS . 1.6 mptm? -66.74 132.66 48.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.157 -177.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.6 m . . . . . 0 C--N 1.322 -0.627 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.542 177.164 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.789 0 N-CA-C 112.311 -0.316 . . . . 0.0 112.311 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.3 p -158.49 145.02 17.3 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.139 0.495 . . . . 0.0 111.926 -177.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -101.17 145.04 29.32 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 171.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.577 ' SG ' ' HE3' ' A' ' 12' ' ' LYS . 63.0 m -145.47 156.33 43.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.629 0.252 . . . . 0.0 111.137 -176.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.3 p -125.21 148.14 29.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 177.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.78 HG13 HG12 ' A' ' 35' ' ' VAL . 4.2 mp -91.58 122.58 43.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.7 m -96.32 -28.45 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -177.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.527 ' OD2' ' HG2' ' A' ' 65' ' ' LYS . 14.8 t70 -155.23 138.46 15.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.912 0.387 . . . . 0.0 110.632 -179.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.474 ' HB ' ' HE2' ' A' ' 65' ' ' LYS . 43.6 mm -86.44 105.96 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.426 175.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.3 mm -76.87 -57.91 5.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.94 0.4 . . . . 0.0 110.63 -176.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -136.3 -172.32 3.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.591 -178.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -63.76 -37.22 86.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.504 179.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.441 ' O ' ' HA ' ' A' ' 50' ' ' ASN . 50.0 t30 -111.63 -30.0 7.51 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.927 -177.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -92.98 123.98 36.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.172 0.51 . . . . 0.0 111.691 -177.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.0 m -126.78 152.26 34.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.013 176.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 tt -96.8 116.11 28.58 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.78 HG12 HG13 ' A' ' 24' ' ' ILE . 35.0 m -114.79 151.6 16.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.692 -178.219 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.491 ' HB ' ' HA ' ' A' ' 46' ' ' ARG . 7.2 t -167.71 171.18 10.33 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.727 178.057 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.56 169.59 20.71 Favored Glycine 0 N--CA 1.441 -0.991 0 N-CA-C 110.029 -1.229 . . . . 0.0 110.029 172.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -67.01 95.95 0.37 Allowed 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.924 1.749 . . . . 0.0 110.883 175.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.594 ' HA ' ' O ' ' A' ' 42' ' ' THR . 3.8 ptpp? -74.84 1.98 11.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.521 0.676 . . . . 0.0 111.053 -173.104 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.552 ' HB3' ' HD3' ' A' ' 73' ' ' LYS . 38.4 t70 -91.57 -12.57 33.99 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.891 173.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.602 HG23 ' HD2' ' A' ' 86' ' ' LYS . 2.5 mp -120.48 -53.97 3.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.274 179.142 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.594 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 5.8 m -114.18 152.24 31.51 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.892 -177.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.88 52.65 4.49 Favored Glycine 0 CA--C 1.518 0.236 0 C-N-CA 120.779 -0.724 . . . . 0.0 113.124 -176.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.0 t -115.27 126.52 72.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 179.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.488 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 98.9 mttt -113.51 170.44 8.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.014 -175.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.491 ' HA ' ' HB ' ' A' ' 36' ' ' THR . 0.0 OUTLIER -84.59 136.35 33.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.292 0.568 . . . . 0.0 112.395 -171.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.8 mtt180 -153.43 149.26 27.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.126 175.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -97.81 115.56 28.28 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.06 0.457 . . . . 0.0 110.016 174.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.3 m -125.69 177.91 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.959 -175.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.441 ' HA ' ' O ' ' A' ' 31' ' ' ASN . 26.1 p-10 -96.45 152.48 18.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.319 178.207 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.401 ' H ' HG12 ' A' ' 51' ' ' ILE . 12.2 pt -79.05 78.41 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.402 0.62 . . . . 0.0 111.755 -178.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 29.5 tp -164.09 35.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.761 179.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -136.78 -37.09 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -176.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.507 HD13 ' N ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -126.22 155.07 42.4 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.214 0.53 . . . . 0.0 112.099 -173.747 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -124.56 140.97 36.56 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.707 174.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.415 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 39.4 Cg_endo -66.47 152.59 80.51 Favored 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 122.927 2.418 . . . . 0.0 113.501 -174.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 67.7 p -92.52 -165.94 1.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.859 175.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -81.07 -21.24 40.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.81 0.338 . . . . 0.0 110.956 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -96.73 146.13 25.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.559 0.695 . . . . 0.0 112.576 -172.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.544 ' HA ' ' HA ' ' A' ' 8' ' ' ARG . 16.4 ttpt -138.14 122.53 18.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.583 175.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.6 pt -88.84 111.64 22.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 172.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.468 ' HA ' ' HE3' ' A' ' 60' ' ' LYS . 18.4 t70 -66.33 102.57 0.88 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.435 -172.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.7 pt -125.75 -174.24 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.335 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -118.29 150.87 38.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.939 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.527 ' HG2' ' OD2' ' A' ' 26' ' ' ASP . 63.1 tttm -55.39 109.72 0.59 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.099 0.476 . . . . 0.0 110.596 178.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.53 50.52 0.97 Allowed Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 111.623 -0.591 . . . . 0.0 111.623 -177.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.71 -174.75 2.98 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.744 0.307 . . . . 0.0 110.686 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.1 m -150.63 179.33 8.27 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.544 ' OD2' ' HG2' ' A' ' 39' ' ' LYS . 2.6 m-20 -52.79 -41.17 63.87 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -175.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -56.86 -52.09 66.49 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 120.906 0.384 . . . . 0.0 110.583 -178.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -58.28 -47.1 84.71 Favored 'General case' 0 N--CA 1.439 -0.975 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.654 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 89.9 t -55.69 -50.9 64.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.479 178.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.552 ' HD3' ' HB3' ' A' ' 40' ' ' ASP . 40.7 mtmt -64.44 -39.38 93.72 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.174 0.512 . . . . 0.0 110.283 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -56.19 -46.1 79.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.488 178.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -77.71 -31.98 52.67 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.232 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.4 HD21 ' HA ' ' A' ' 82' ' ' THR . 32.8 tp -66.19 -38.77 88.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.454 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -62.02 -47.82 83.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.715 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -59.04 -45.7 90.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.997 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.3 m -76.32 -21.54 56.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.831 -176.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 55.81 58.25 4.6 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.983 0.897 . . . . 0.0 109.636 -174.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.568 HD13 ' O ' ' A' ' 81' ' ' LEU . 0.9 OUTLIER -114.28 8.2 16.68 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.152 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.4 ' HA ' HD21 ' A' ' 76' ' ' LEU . 1.7 m -55.08 -45.95 75.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.662 -1.154 . . . . 0.0 112.299 -174.254 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -67.47 -36.16 80.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.797 0.332 . . . . 0.0 111.642 -176.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -77.35 -28.31 52.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.056 0.455 . . . . 0.0 110.718 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.32 -41.24 28.43 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.907 0.384 . . . . 0.0 110.027 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.602 ' HD2' HG23 ' A' ' 41' ' ' ILE . 82.5 tttt -73.65 -6.54 47.35 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.494 0.664 . . . . 0.0 110.523 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -66.09 118.06 9.31 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.684 176.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 63.2 pttt . . . . . 0 C--N 1.317 -0.825 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.482 178.649 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.4 mm . . . . . 0 C--O 1.234 0.266 0 CA-C-O 121.634 0.73 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.433 ' CG ' ' HB2' ' A' ' 8' ' ' ARG . 15.5 pt-20 -143.98 164.0 31.85 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.907 -175.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.454 ' HA ' ' O ' ' A' ' 24' ' ' ILE . 17.4 m -73.61 126.65 34.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.154 0.502 . . . . 0.0 110.352 177.228 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.479 ' HA3' HG12 ' A' ' 63' ' ' ILE . . . 98.7 -4.52 59.61 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.637 -0.792 . . . . 0.0 113.067 178.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.433 ' HB2' ' CG ' ' A' ' 5' ' ' GLU . 13.0 ttt180 -97.13 111.18 23.53 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.236 -0.586 . . . . 0.0 109.884 178.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.714 HG13 HG22 ' A' ' 23' ' ' VAL . 3.7 mp -68.55 110.15 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.331 -178.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 55.5 m -103.39 141.25 36.28 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 -178.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.501 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 5.6 p -149.19 136.72 13.79 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.419 -176.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.501 ' HG3' ' O ' ' A' ' 11' ' ' VAL . 0.1 OUTLIER 50.99 174.58 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 125.058 1.343 . . . . 0.0 114.527 176.775 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 47.0 t . . . . . 0 C--N 1.323 -0.551 0 CA-C-N 114.905 -1.043 . . . . 0.0 108.326 172.608 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.176 0 N-CA-C 111.557 -0.617 . . . . 0.0 111.557 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.7 m -118.36 141.89 48.08 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 -175.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.639 ' HD2' ' SD ' ' A' ' 85' ' ' MET . 35.1 mttp -92.33 141.85 28.09 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.152 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.546 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 32.2 m -133.64 143.11 48.39 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.174 0.512 . . . . 0.0 110.079 176.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.714 HG22 HG13 ' A' ' 9' ' ' ILE . 42.1 t -108.08 121.29 60.85 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.311 -179.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.454 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 61.4 mt -74.95 104.49 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 174.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.9 m -101.71 -22.16 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.732 -175.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.604 ' HA ' ' HG3' ' A' ' 65' ' ' LYS . 2.8 t0 -147.85 162.29 39.55 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 -178.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.1 mm -121.58 111.75 32.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.286 -176.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.571 HG21 ' HD3' ' A' ' 48' ' ' ARG . 38.2 mm -90.5 -53.89 8.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.072 0.463 . . . . 0.0 109.975 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.546 ' HB2' ' H ' ' A' ' 32' ' ' PHE . 15.2 m-20 -128.75 -176.52 3.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.213 176.289 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -85.73 -3.26 58.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.538 0.685 . . . . 0.0 109.481 175.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -118.66 -50.07 2.43 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.02 176.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.546 ' H ' ' HB2' ' A' ' 29' ' ' ASP . 92.5 m-85 -88.88 106.66 18.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.825 179.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.7 m -102.16 158.74 4.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.01 176.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 tt -94.39 114.4 26.43 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.546 ' HB ' ' HB3' ' A' ' 22' ' ' CYS . 29.5 m -114.29 146.98 18.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.403 -179.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.4 t -149.92 153.74 37.15 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.107 177.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.41 137.16 11.57 Favored Glycine 0 N--CA 1.441 -1.015 0 N-CA-C 110.416 -1.074 . . . . 0.0 110.416 174.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.841 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 99.2 Cg_exo -43.99 123.66 4.25 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 123.212 2.608 . . . . 0.0 111.976 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -46.68 -50.15 18.23 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -170.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -92.72 -31.62 15.01 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.875 0.369 . . . . 0.0 111.497 -175.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.841 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 68.6 mt -79.13 -40.89 22.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.833 -174.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.5 m -124.41 -45.95 1.92 Allowed 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.951 -0.3 . . . . 0.0 111.377 -175.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.12 61.03 3.88 Favored Glycine 0 CA--C 1.521 0.446 0 C-N-CA 121.05 -0.595 . . . . 0.0 113.054 178.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.7 t -111.2 128.21 67.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 122.618 -0.343 . . . . 0.0 110.496 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -66.55 142.8 57.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.261 -179.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.556 ' HD2' ' N ' ' A' ' 46' ' ' ARG . 1.5 mpt_? -99.04 133.4 43.37 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.758 0.313 . . . . 0.0 111.052 -173.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -169.99 169.41 8.13 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 177.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.571 ' HD3' HG21 ' A' ' 28' ' ' ILE . 74.6 mtt180 -78.85 106.27 10.75 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 177.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.8 t -112.15 144.82 19.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 120.847 0.356 . . . . 0.0 110.867 -173.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -64.16 146.13 54.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.654 178.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.2 pt -73.53 16.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.948 178.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 35.7 tp -112.94 5.44 17.3 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.219 0.533 . . . . 0.0 110.126 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 36.3 t60 -92.86 -16.64 25.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.735 -177.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -153.33 159.13 42.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.181 -179.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.424 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 46.0 mt-10 -116.32 148.45 41.68 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.417 179.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 55' ' ' GLU . 16.8 Cg_exo -66.31 138.94 52.88 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.822 2.348 . . . . 0.0 111.918 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 64.2 p -92.69 -172.57 3.08 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.248 0.547 . . . . 0.0 111.882 -176.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -76.43 -22.86 54.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.88 -177.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 50.4 mttm -125.67 151.75 46.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.121 0.486 . . . . 0.0 111.505 -171.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.41 ' HB3' ' HG3' ' A' ' 8' ' ' ARG . 18.1 ptmt -139.59 153.62 47.42 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.195 178.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.416 ' O ' HG13 ' A' ' 61' ' ' ILE . 35.1 pt -107.52 113.16 42.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 168.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -71.12 99.7 1.9 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.404 0.621 . . . . 0.0 111.397 -171.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.479 HG12 ' HA3' ' A' ' 7' ' ' GLY . 37.1 pt -123.8 -171.09 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.828 177.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -112.39 169.35 8.94 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.708 177.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.604 ' HG3' ' HA ' ' A' ' 26' ' ' ASP . 28.3 ttpp -73.05 127.25 32.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.142 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.03 24.25 7.73 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.633 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.11 143.39 32.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.769 0.319 . . . . 0.0 110.711 177.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.44 ' O ' HG23 ' A' ' 72' ' ' VAL . 46.2 p -103.65 172.75 6.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.294 -177.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.539 ' OD2' ' HA ' ' A' ' 38' ' ' PRO . 15.9 t70 -53.75 -32.89 53.94 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.548 177.431 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -58.65 -51.82 68.32 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.398 -178.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -71.31 -34.33 70.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.309 -177.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 68' ' ' SER . 85.0 t -58.56 -40.8 80.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.271 177.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.754 ' HE3' ' HB3' ' A' ' 38' ' ' PRO . 1.5 mptm? -64.63 -34.43 78.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.309 178.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.481 ' O ' ' HG3' ' A' ' 78' ' ' GLU . 4.5 tmtt? -77.54 -43.48 31.79 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.814 0.34 . . . . 0.0 110.575 -177.3 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.484 ' HB2' ' HE2' ' A' ' 75' ' ' LYS . 18.3 ttmm -78.93 -24.25 44.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.319 -175.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 22.3 tp -63.79 -37.49 87.56 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 173.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.479 ' HB3' ' O ' ' A' ' 74' ' ' LYS . 28.6 tt0 -60.51 -51.49 69.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.529 173.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 41.9 mt-10 -56.92 -41.3 77.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.29 -178.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.9 m -79.41 -11.49 59.91 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.523 -178.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 57.74 45.74 18.33 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.664 0.745 . . . . 0.0 109.84 -178.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 22.4 tp -119.14 11.53 12.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.027 -176.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.4 m -54.48 -54.24 43.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.006 -0.997 . . . . 0.0 112.449 -173.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -66.67 -43.69 83.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.188 0.518 . . . . 0.0 110.976 -175.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -61.09 -31.86 71.53 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.725 -177.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.639 ' SD ' ' HD2' ' A' ' 21' ' ' LYS . 14.0 tpt -75.1 -36.63 61.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.779 179.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -62.22 -42.86 99.69 Favored 'General case' 0 C--O 1.236 0.363 0 O-C-N 123.493 0.496 . . . . 0.0 110.9 -179.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -63.06 131.67 49.35 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.995 -178.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 53.6 mttp . . . . . 0 C--N 1.323 -0.576 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.303 -179.808 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.477 HD13 HD13 ' A' ' 51' ' ' ILE . 97.5 mt . . . . . 0 CA--C 1.529 0.146 0 CA-C-O 121.269 0.556 . . . . 0.0 110.611 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -152.71 168.31 26.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.202 -173.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.5 HG11 ' HA ' ' A' ' 65' ' ' LYS . 16.2 m -69.15 137.38 24.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.045 0.45 . . . . 0.0 111.218 -179.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.65 -13.13 59.39 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.659 -0.701 . . . . 0.0 112.822 177.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -86.3 136.15 33.26 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.911 0.386 . . . . 0.0 110.003 -177.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.595 HG12 HG22 ' A' ' 23' ' ' VAL . 63.8 mt -79.92 129.34 37.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.962 -176.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.426 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 2.2 p -112.58 133.17 54.76 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.095 0.474 . . . . 0.0 110.105 175.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.5 p -101.45 143.63 14.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.366 -178.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -75.49 103.25 5.54 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.774 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.5 m . . . . . 0 C--N 1.327 -0.389 0 CA-C-O 121.02 0.438 . . . . 0.0 111.027 -178.662 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.628 0 N-CA-C 111.742 -0.543 . . . . 0.0 111.742 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.6 t -94.43 136.01 35.21 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -177.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -119.33 148.95 42.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.006 0.432 . . . . 0.0 111.537 -174.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.6 p -153.6 155.66 36.53 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.029 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.595 HG22 HG12 ' A' ' 9' ' ' ILE . 46.0 t -111.48 134.53 53.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.394 0.14 . . . . 0.0 110.644 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.6 mt -77.16 96.93 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 174.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.561 ' HB ' ' HB3' ' A' ' 67' ' ' ALA . 29.9 m -96.53 -29.87 3.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.899 -173.083 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.555 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 16.9 t0 -140.9 128.5 21.44 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.123 0.487 . . . . 0.0 110.779 -175.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.8 mt -113.34 108.44 25.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.581 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.467 ' H ' HD12 ' A' ' 28' ' ' ILE . 4.0 mp -89.84 -59.81 2.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 -177.137 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.693 ' HB2' ' HB2' ' A' ' 32' ' ' PHE . 3.0 m-20 -107.81 -172.72 2.12 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.513 177.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -77.15 -32.64 56.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.922 0.391 . . . . 0.0 110.676 -176.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -112.38 -31.12 6.93 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.059 177.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.693 ' HB2' ' HB2' ' A' ' 29' ' ' ASP . 96.0 m-85 -80.57 103.78 10.65 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.987 0.423 . . . . 0.0 110.286 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.2 m -125.3 153.49 32.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.946 -176.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.555 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . 50.5 tp -98.08 116.17 29.74 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.202 178.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.529 ' O ' ' HB3' ' A' ' 46' ' ' ARG . 35.6 m -116.99 147.67 20.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.198 176.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.482 ' HA ' ' HB3' ' A' ' 46' ' ' ARG . 12.1 t -166.44 168.48 14.8 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -179.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -107.76 -165.54 21.61 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 174.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -74.63 153.12 43.51 Favored 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 122.772 2.314 . . . . 0.0 112.248 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.434 ' O ' ' HB3' ' A' ' 40' ' ' ASP . 5.2 ttpm? -90.92 129.54 36.94 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.434 ' HB3' ' O ' ' A' ' 39' ' ' LYS . 25.1 t70 76.05 -54.19 0.61 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.535 -1.212 . . . . 0.0 110.686 -177.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 62.0 mt -69.07 117.17 11.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 172.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.451 HG22 HG23 ' A' ' 44' ' ' VAL . 26.2 m 72.87 -51.12 0.71 Allowed 'General case' 0 CA--C 1.536 0.413 0 O-C-N 123.725 0.641 . . . . 0.0 110.21 -173.134 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.92 56.1 2.98 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 121.258 -0.496 . . . . 0.0 112.947 173.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.451 HG23 HG22 ' A' ' 42' ' ' THR . 49.7 t -131.64 92.06 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.745 0.307 . . . . 0.0 110.934 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.412 ' HA ' ' OG1' ' A' ' 36' ' ' THR . 64.9 tttp -94.69 106.82 18.82 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 174.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.592 ' HE ' HG11 ' A' ' 49' ' ' VAL . 16.1 tpt180 -102.96 149.18 24.78 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.518 -175.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -87.59 176.86 7.25 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.656 178.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 48' ' ' ARG . 5.5 ptp180 -68.49 126.68 30.4 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 170.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.592 HG11 ' HE ' ' A' ' 46' ' ' ARG . 17.9 m -128.72 2.79 2.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 112.816 0.672 . . . . 0.0 112.816 -169.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.9 t30 69.22 150.93 0.08 Allowed 'General case' 0 CA--C 1.537 0.472 0 O-C-N 123.805 0.691 . . . . 0.0 110.816 -178.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.477 HD13 HD13 ' A' ' 4' ' ' ILE . 60.3 mt -77.43 85.32 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.327 0.584 . . . . 0.0 110.398 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.8 mt -105.21 -74.01 0.66 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.292 177.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -118.95 51.27 1.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.751 0.31 . . . . 0.0 110.876 -175.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.426 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 96.0 mt -128.24 126.86 41.74 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.486 -179.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -112.27 133.85 21.65 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.561 176.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -69.23 133.12 25.73 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.556 2.171 . . . . 0.0 111.524 175.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 62.7 p -97.75 -179.31 4.4 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.374 -177.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -64.69 -27.5 68.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.567 177.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.517 ' N ' ' HD2' ' A' ' 59' ' ' LYS . 3.7 mptp? -87.96 135.49 33.38 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.568 0.699 . . . . 0.0 111.072 -174.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -153.21 130.74 11.44 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.194 -177.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 31.1 pt -90.69 128.15 42.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 172.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -72.81 107.8 5.43 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.101 0.477 . . . . 0.0 109.862 -177.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.634 HD11 ' HG2' ' A' ' 71' ' ' GLU . 15.8 tt -149.6 169.65 2.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.843 -174.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -94.96 172.39 8.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.037 0.446 . . . . 0.0 111.54 -177.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.5 ' HA ' HG11 ' A' ' 6' ' ' VAL . 33.9 ttpt -75.34 126.22 30.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.304 -176.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.14 53.98 2.69 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.504 178.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.561 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . . . -71.12 150.85 45.05 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.267 0.556 . . . . 0.0 111.875 -175.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.5 ' O ' HG23 ' A' ' 72' ' ' VAL . 5.9 p -107.04 160.26 15.68 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.208 178.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -48.92 -52.2 25.94 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.473 0.483 . . . . 0.0 111.624 -176.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -62.3 -40.72 97.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.584 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.634 ' HG2' HD11 ' A' ' 63' ' ' ILE . 41.8 tt0 -66.25 -39.88 89.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.742 -178.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 68' ' ' SER . 88.3 t -61.52 -43.58 97.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.03 0.443 . . . . 0.0 110.084 176.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.434 ' HB3' ' HZ3' ' A' ' 73' ' ' LYS . 5.5 ttpm? -61.63 -37.07 82.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.365 178.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.416 ' O ' ' HB3' ' A' ' 77' ' ' GLU . 45.8 tttm -66.75 -46.7 74.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.905 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.435 ' HG2' ' HB ' ' A' ' 63' ' ' ILE . 5.5 mptp? -66.33 -29.21 69.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.053 178.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 44.0 tp -64.15 -35.27 80.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.709 174.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.416 ' HB3' ' O ' ' A' ' 74' ' ' LYS . 37.9 tt0 -70.35 -51.64 28.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.599 175.216 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -52.65 -40.59 62.97 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.735 -178.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.3 m -89.96 -16.24 30.31 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.244 -178.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.7 t30 47.06 68.03 0.7 Allowed 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.811 0.815 . . . . 0.0 109.782 -170.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.47 ' HG ' ' HB3' ' A' ' 84' ' ' TYR . 15.2 tp -115.13 18.66 16.15 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.113 -0.948 . . . . 0.0 110.037 -174.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.1 m -57.12 -53.29 59.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.899 -175.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.52 -32.02 73.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.78 -177.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.47 ' HB3' ' HG ' ' A' ' 81' ' ' LEU . 84.2 t80 -68.09 -28.6 67.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.144 -177.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 11.2 mmt -94.98 -15.31 23.64 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.697 0.284 . . . . 0.0 111.009 177.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -78.94 -43.16 25.22 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.556 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -77.02 151.22 35.67 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 120.859 0.361 . . . . 0.0 110.164 177.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt . . . . . 0 C--N 1.321 -0.641 0 CA-C-O 121.005 0.431 . . . . 0.0 110.784 -178.408 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.636 HD11 HG11 ' A' ' 33' ' ' VAL . 9.2 tp . . . . . 0 N--CA 1.469 0.481 0 CA-C-O 122.608 1.194 . . . . 0.0 111.433 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.52 ' HG3' ' HB2' ' A' ' 8' ' ' ARG . 15.5 pt-20 -126.36 164.23 21.54 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.435 -1.257 . . . . 0.0 109.924 -176.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.7 m -68.25 132.2 32.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.991 0.424 . . . . 0.0 110.662 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.13 9.99 83.29 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.79 177.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.655 ' HD2' ' HB2' ' A' ' 60' ' ' LYS . 5.9 tpt180 -88.75 126.66 35.44 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 177.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 mp -77.84 126.76 38.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 178.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.437 ' SG ' HD21 ' A' ' 54' ' ' LEU . 5.7 p -121.79 153.23 38.58 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.451 -178.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.2 p -120.78 150.84 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.698 -176.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.524 ' HG3' ' HB2' ' A' ' 20' ' ' SER . 31.1 mmmt -75.75 111.54 11.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.554 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.8 t . . . . . 0 C--N 1.325 -0.496 0 CA-C-O 121.866 0.841 . . . . 0.0 109.877 -178.221 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.339 0 N-CA-C 113.809 0.284 . . . . 0.0 113.809 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.524 ' HB2' ' HG3' ' A' ' 12' ' ' LYS . 17.7 m -103.15 114.14 28.19 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 175.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.456 ' N ' ' HD2' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -104.61 143.78 32.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.353 -177.092 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.487 ' SG ' HG11 ' A' ' 44' ' ' VAL . 72.8 m -138.54 156.2 47.72 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.893 177.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 62.1 t -106.21 127.86 61.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 177.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.572 ' HA ' HG12 ' A' ' 35' ' ' VAL . 60.9 mt -69.42 118.6 14.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 178.301 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.414 HG22 ' HB3' ' A' ' 67' ' ' ALA . 66.0 t -111.25 -49.71 6.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.469 -176.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.473 ' HA ' ' HE3' ' A' ' 65' ' ' LYS . 14.8 t70 -130.89 121.81 25.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.903 0.383 . . . . 0.0 111.571 -175.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.419 ' N ' HD12 ' A' ' 27' ' ' ILE . 3.4 mp -88.62 95.11 5.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 174.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.443 HD11 ' HB2' ' A' ' 34' ' ' LEU . 43.1 mt -72.36 -52.09 25.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.512 -177.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -138.36 177.38 7.92 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.581 -175.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -72.36 -25.37 61.5 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.715 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.465 ' O ' ' HA ' ' A' ' 50' ' ' ASN . 17.5 m120 -107.24 -43.27 4.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.943 -179.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -102.07 132.29 48.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.73 0.3 . . . . 0.0 111.403 -177.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.636 HG11 HD11 ' A' ' 4' ' ' ILE . 18.1 m -134.76 167.21 26.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.704 177.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.443 ' HB2' HD11 ' A' ' 28' ' ' ILE . 4.7 tt -111.39 116.06 30.32 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.224 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.572 HG12 ' HA ' ' A' ' 24' ' ' ILE . 28.9 m -117.41 139.75 43.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.438 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.423 ' HA ' ' HB3' ' A' ' 46' ' ' ARG . 23.7 m -111.17 122.4 47.77 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.193 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -99.24 158.42 19.99 Favored Glycine 0 N--CA 1.443 -0.9 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 177.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.477 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 24.1 Cg_exo -63.96 105.37 0.55 Allowed 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.346 2.031 . . . . 0.0 111.071 177.16 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -77.97 -33.57 51.4 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.345 0.593 . . . . 0.0 110.13 -174.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -83.45 -31.79 26.39 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.678 -179.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.584 HG13 ' HE3' ' A' ' 73' ' ' LYS . 64.6 mt -87.21 -75.14 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.929 0.395 . . . . 0.0 111.293 -179.211 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.448 ' H ' ' HB2' ' A' ' 38' ' ' PRO . 2.2 m -75.45 -42.74 52.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 -175.172 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.34 11.08 20.78 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 121.164 -0.541 . . . . 0.0 111.902 -177.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.487 HG11 ' SG ' ' A' ' 22' ' ' CYS . 22.1 t -90.97 148.31 4.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.711 0.291 . . . . 0.0 110.39 -178.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -117.42 154.32 31.57 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.473 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 7.6 ppt_? -71.72 126.69 30.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.041 0.448 . . . . 0.0 110.907 179.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 54.6 mtp85 -142.21 176.45 8.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.77 -175.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -98.36 109.55 22.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.638 177.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.2 p -127.78 156.33 39.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.226 -176.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.465 ' HA ' ' O ' ' A' ' 31' ' ' ASN . 10.5 p30 -91.92 143.97 25.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.854 0.359 . . . . 0.0 110.345 178.076 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.6 mt -68.16 -17.91 22.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.085 -177.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.4 tp -69.43 -10.26 57.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.561 -175.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -128.53 18.56 6.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.986 0.422 . . . . 0.0 110.6 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.437 HD21 ' SG ' ' A' ' 10' ' ' CYS . 39.0 tp -137.92 126.68 23.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.373 -176.214 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -115.37 123.93 30.85 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 120.888 0.375 . . . . 0.0 111.715 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.445 ' HB3' ' HG2' ' A' ' 8' ' ' ARG . 22.7 Cg_exo -66.01 127.69 18.19 Favored 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 123.0 2.467 . . . . 0.0 111.006 170.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 67.0 p -79.33 -174.21 4.07 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.347 0.594 . . . . 0.0 111.376 -175.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -72.38 -26.89 62.06 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.008 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -93.91 153.42 18.24 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.344 0.593 . . . . 0.0 111.821 -174.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.655 ' HB2' ' HD2' ' A' ' 8' ' ' ARG . 26.5 tttp -153.35 154.72 35.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.937 -175.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.604 ' N ' ' HG2' ' A' ' 60' ' ' LYS . 26.9 pt -116.12 132.73 64.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 171.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -87.48 102.46 14.59 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 -176.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.437 ' CG2' ' HG2' ' A' ' 75' ' ' LYS . 34.2 pt -136.15 -178.66 2.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.738 -174.07 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.58 169.1 10.59 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 172.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.473 ' HE3' ' HA ' ' A' ' 26' ' ' ASP . 87.6 tttt -77.81 106.21 9.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.123 0.487 . . . . 0.0 110.672 -179.24 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 146.27 63.34 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.414 ' HB3' HG22 ' A' ' 25' ' ' VAL . . . -97.59 140.02 32.63 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.953 0.406 . . . . 0.0 111.138 -175.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.475 ' O ' HG23 ' A' ' 72' ' ' VAL . 43.5 p -127.34 175.92 7.82 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.348 176.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.465 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 15.5 t70 -57.31 -39.49 75.9 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.425 0.631 . . . . 0.0 109.422 177.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -63.16 -51.03 68.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.954 178.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.429 ' HB3' ' H ' ' A' ' 68' ' ' SER . 8.3 tp10 -60.89 -42.43 97.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.563 -179.324 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 68' ' ' SER . 71.6 t -59.04 -44.87 92.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.292 176.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.584 ' HE3' HG13 ' A' ' 41' ' ' ILE . 1.5 mptm? -51.91 -48.92 63.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.177 0.513 . . . . 0.0 111.107 176.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.425 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 94.4 mttt -69.38 -40.03 77.65 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.73 -175.096 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.437 ' HG2' ' CG2' ' A' ' 63' ' ' ILE . 13.7 mptt -71.98 -32.21 67.02 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.829 0.347 . . . . 0.0 111.159 177.342 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.516 HD21 ' HG3' ' A' ' 85' ' ' MET . 5.2 mp -68.44 -30.07 68.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.12 173.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 74' ' ' LYS . 33.9 mm-40 -66.52 -36.27 82.29 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.677 173.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -70.6 -49.73 44.68 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.201 179.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.1 m -90.58 -10.96 41.49 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -173.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 15.5 m120 61.01 26.87 16.79 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.058 0.456 . . . . 0.0 110.549 -177.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 33.0 tp -85.25 9.02 16.39 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.525 -176.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.1 m -61.0 -22.11 64.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.541 -178.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -68.13 -52.24 37.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.949 0.404 . . . . 0.0 110.754 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -62.22 -34.86 77.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.214 -177.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.516 ' HG3' HD21 ' A' ' 76' ' ' LEU . 98.2 mmm -77.16 -20.39 55.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.795 -175.302 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -99.37 -17.56 17.94 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.794 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -61.82 121.01 11.83 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.262 0.553 . . . . 0.0 110.387 178.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt . . . . . 0 C--N 1.32 -0.717 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.977 -172.752 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.419 ' N ' HD12 ' A' ' 4' ' ' ILE . 4.1 mp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.006 0.432 . . . . 0.0 110.06 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -117.99 153.06 34.29 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.238 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.2 m -60.6 129.61 23.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.511 0.672 . . . . 0.0 111.019 177.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.406 ' HA3' HG12 ' A' ' 63' ' ' ILE . . . 91.03 -2.11 78.78 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.734 179.502 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.5 ttt180 -91.52 119.45 31.48 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.955 0.407 . . . . 0.0 110.06 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 45.8 mt -68.54 126.66 28.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.905 -176.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.481 ' CB ' HD13 ' A' ' 54' ' ' LEU . 51.9 m -130.41 145.26 51.79 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.583 HG22 ' HG3' ' A' ' 12' ' ' LYS . 7.4 p -150.4 143.41 17.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -173.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.583 ' HG3' HG22 ' A' ' 11' ' ' VAL . 0.0 OUTLIER 48.83 173.3 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 116.223 1.935 . . . . 0.0 116.223 169.748 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.7 t . . . . . 0 N--CA 1.465 0.306 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.219 176.522 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.115 -0.394 . . . . 0.0 112.115 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.419 ' O ' HG23 ' A' ' 11' ' ' VAL . 11.9 p -111.52 150.53 29.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.684 0.278 . . . . 0.0 110.743 -177.215 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.419 ' HG2' ' HB ' ' A' ' 11' ' ' VAL . 44.1 mttp -92.27 145.44 24.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.291 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 63.9 m -140.99 153.0 45.38 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.059 177.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.8 t -122.42 122.34 65.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.556 -178.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.42 ' N ' HD12 ' A' ' 24' ' ' ILE . 3.6 mp -72.51 122.97 26.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 178.424 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.454 ' HB ' HG22 ' A' ' 36' ' ' THR . 14.9 p -106.0 -28.89 2.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.63 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -150.36 133.67 16.35 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.937 0.398 . . . . 0.0 110.562 178.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 69.0 mt -95.7 108.9 21.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.125 -179.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.1 mt -97.32 -71.4 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.346 -179.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.639 ' HB2' ' H ' ' A' ' 32' ' ' PHE . 12.0 m-20 -115.36 171.49 7.67 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 178.284 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -79.91 -14.27 58.75 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.654 0.74 . . . . 0.0 109.067 170.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.772 ' O ' ' HA ' ' A' ' 50' ' ' ASN . 17.2 m120 -94.34 -40.82 9.75 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.828 178.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.639 ' H ' ' HB2' ' A' ' 29' ' ' ASP . 98.3 m-85 -139.03 122.18 16.91 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 120.609 0.242 . . . . 0.0 111.095 -177.164 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.7 m -118.04 171.61 6.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 174.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.2 tp -95.37 115.35 27.3 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 177.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.432 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 27.3 m -114.42 148.93 16.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.64 179.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.454 HG22 ' HB ' ' A' ' 25' ' ' VAL . 12.8 t -139.74 146.85 40.05 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.028 0.442 . . . . 0.0 110.427 -179.169 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.42 147.73 17.18 Favored Glycine 0 N--CA 1.439 -1.11 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 175.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.719 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 45.6 Cg_exo -56.04 110.6 0.59 Allowed 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 122.338 2.025 . . . . 0.0 111.416 178.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -66.15 -28.11 68.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.216 -176.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -83.89 -25.42 30.22 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.024 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.719 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 65.8 mt -98.94 -63.48 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.538 -175.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.0 p -92.97 -39.23 11.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.71 0.291 . . . . 0.0 111.05 -177.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.19 63.32 3.67 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.334 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.3 p -108.15 146.89 13.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 120.86 0.362 . . . . 0.0 110.426 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.401 ' HE3' ' HB2' ' A' ' 45' ' ' LYS . 34.6 ttmt -72.71 114.12 10.5 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.759 178.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' A' ' 35' ' ' VAL . 46.1 ttp180 -79.98 108.48 13.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.711 -172.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -144.4 178.09 8.18 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -95.44 109.71 21.86 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 178.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.1 t -127.37 56.03 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 121.017 0.436 . . . . 0.0 111.632 -168.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.772 ' HA ' ' O ' ' A' ' 31' ' ' ASN . 0.9 OUTLIER 64.67 -175.97 0.17 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.762 -0.653 . . . . 0.0 112.386 175.906 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 47.1 mt -116.96 -49.71 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.815 174.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 25.6 tp -80.05 34.69 0.3 Allowed 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.603 0.716 . . . . 0.0 110.759 -176.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 -106.98 5.24 27.98 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.446 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.481 HD13 ' CB ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER -154.5 166.33 33.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.836 179.749 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -109.44 136.83 20.19 Favored Pre-proline 0 C--N 1.332 -0.187 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.634 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -74.44 137.57 23.27 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.684 2.256 . . . . 0.0 112.405 178.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 30.9 p -82.5 170.95 14.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.671 178.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -85.74 -47.28 9.91 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 121.108 -0.237 . . . . 0.0 110.904 -178.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -88.15 144.61 26.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.085 0.469 . . . . 0.0 110.42 178.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -131.34 158.49 40.57 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.733 -170.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.3 pt -112.68 106.15 20.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 167.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -80.18 107.84 13.3 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.162 0.506 . . . . 0.0 110.99 -172.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.406 HG12 ' HA3' ' A' ' 7' ' ' GLY . 34.3 pt -113.82 -173.65 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.857 177.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -93.83 161.97 14.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.878 0.37 . . . . 0.0 110.589 177.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -79.76 125.51 29.77 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.28 -176.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.79 50.4 3.33 Favored Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -174.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.429 ' HB1' ' HB3' ' A' ' 71' ' ' GLU . . . -101.52 -178.57 3.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.977 0.418 . . . . 0.0 111.25 -176.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.6 p -147.18 -169.11 3.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.683 -176.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -57.08 -42.54 80.87 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.373 0.421 . . . . 0.0 110.195 -179.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.539 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 1.6 mp0 -56.2 -52.56 63.98 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.519 179.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.429 ' HB3' ' HB1' ' A' ' 67' ' ' ALA . 3.7 tp10 -64.45 -45.95 85.25 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.944 -178.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.499 ' O ' ' HB2' ' A' ' 76' ' ' LEU . 99.6 t -60.78 -41.01 86.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.288 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.8 ttpt -66.75 -38.97 87.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.846 -178.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.539 ' HG2' ' O ' ' A' ' 70' ' ' GLU . 33.3 mmtp -58.27 -54.55 45.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.908 0.385 . . . . 0.0 110.547 177.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.406 ' HG2' HG22 ' A' ' 63' ' ' ILE . 14.3 mptt -65.39 -39.68 92.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.069 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.499 ' HB2' ' O ' ' A' ' 72' ' ' VAL . 10.4 tp -65.43 -36.42 83.88 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.608 -177.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -70.36 -44.16 68.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.098 0.475 . . . . 0.0 109.948 177.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -60.0 -42.64 94.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.704 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.3 t -86.43 -9.66 55.83 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.279 -178.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 58.46 36.95 25.66 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.728 0.775 . . . . 0.0 110.13 -178.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.43 ' HB3' HD12 ' A' ' 76' ' ' LEU . 23.0 tp -104.05 14.59 30.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.425 -174.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.44 ' HA ' ' CD2' ' A' ' 76' ' ' LEU . 6.6 m -56.95 -37.63 71.82 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.965 -176.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -61.63 -35.26 77.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.992 -177.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -61.82 -29.98 70.52 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.207 -177.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 14.5 mmt -72.9 -38.95 66.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.16 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -86.72 37.4 0.75 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.179 0.514 . . . . 0.0 110.421 -174.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -130.41 136.91 49.54 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.898 177.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.9 pttp . . . . . 0 C--N 1.319 -0.755 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.497 -178.854 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.43 ' N ' HD12 ' A' ' 4' ' ' ILE . 3.5 mp . . . . . 0 C--O 1.234 0.286 0 CA-C-O 121.806 0.812 . . . . 0.0 109.655 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -120.95 144.39 48.5 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.113 -172.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.4 m -58.7 125.97 15.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.095 176.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.451 ' O ' HG12 ' A' ' 61' ' ' ILE . . . 118.7 -20.07 10.22 Favored Glycine 0 N--CA 1.44 -1.036 0 C-N-CA 120.238 -0.982 . . . . 0.0 112.728 -178.248 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.508 ' HB2' ' HB3' ' A' ' 60' ' ' LYS . 62.3 ttt180 -90.85 139.01 31.15 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 119.889 -0.724 . . . . 0.0 110.398 178.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 45.0 mt -77.54 145.97 9.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.032 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.1 p -133.39 148.02 51.8 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 174.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.557 HG13 HG13 ' A' ' 13' ' ' VAL . 15.0 p -107.5 143.97 17.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.154 0.502 . . . . 0.0 111.289 -177.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -85.1 80.91 9.08 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.557 HG13 HG13 ' A' ' 11' ' ' VAL . 13.0 m . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 115.461 -0.79 . . . . 0.0 112.302 -174.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.378 0 N-CA-C 111.783 -0.527 . . . . 0.0 111.783 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.6 m -79.75 125.0 29.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.886 0.374 . . . . 0.0 110.249 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -117.81 155.07 30.71 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.152 -177.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 75.3 m -140.58 152.97 45.91 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.854 176.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.3 t -106.95 135.5 45.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.188 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.503 ' HA ' HG12 ' A' ' 35' ' ' VAL . 53.2 mt -70.66 108.78 2.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 176.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.1 m -105.16 -25.12 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.722 -175.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -158.64 152.51 23.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.869 0.366 . . . . 0.0 110.713 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.403 HG23 HG12 ' A' ' 33' ' ' VAL . 63.9 mt -110.29 115.31 49.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 177.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 47.0 mm -86.07 -49.64 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.17 -175.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.482 ' CG ' ' H ' ' A' ' 30' ' ' ASP . 13.8 t70 -136.66 -162.85 1.33 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -175.223 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.482 ' H ' ' CG ' ' A' ' 29' ' ' ASP . 11.8 t70 -81.36 -45.24 16.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.712 0.768 . . . . 0.0 109.05 178.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.424 ' OD1' ' HB2' ' A' ' 50' ' ' ASN . 31.2 t30 -93.74 -32.31 14.06 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.576 -178.528 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.473 ' HA ' ' HA ' ' A' ' 50' ' ' ASN . 22.8 m-85 -100.39 136.65 39.95 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.577 -176.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.403 HG12 HG23 ' A' ' 27' ' ' ILE . 21.6 m -133.01 168.5 24.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.208 178.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 46.0 tp -111.91 115.48 29.04 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.247 0.546 . . . . 0.0 109.942 178.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.503 HG12 ' HA ' ' A' ' 24' ' ' ILE . 27.5 m -125.19 149.83 30.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.033 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.8 t -152.18 146.65 25.63 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.492 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -102.51 112.61 4.34 Favored Glycine 0 N--CA 1.444 -0.816 0 N-CA-C 110.231 -1.148 . . . . 0.0 110.231 174.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.404 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 48.2 Cg_exo -29.85 114.88 0.05 OUTLIER 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 124.475 3.45 . . . . 0.0 113.337 -174.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.565 ' HA ' ' HA2' ' A' ' 43' ' ' GLY . 85.2 tttt -66.91 -34.28 77.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.459 -171.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.589 ' HB3' ' HE2' ' A' ' 73' ' ' LYS . 31.9 t70 -73.09 -21.16 60.81 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.945 -178.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.404 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 59.5 mt -106.01 -70.1 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.877 -177.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -86.87 -40.68 14.65 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.965 -176.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.565 ' HA2' ' HA ' ' A' ' 39' ' ' LYS . . . 84.64 35.17 14.12 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.981 177.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.1 t -90.03 122.89 41.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.782 0.325 . . . . 0.0 110.724 -177.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -73.74 112.04 9.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.804 177.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -71.97 149.94 44.55 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.057 -175.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 47' ' ' ARG . 17.2 mtp180 -139.8 160.66 39.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.666 176.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -83.95 108.01 16.67 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 177.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 30.6 m -126.27 178.55 4.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.056 0.455 . . . . 0.0 111.624 -173.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.473 ' HA ' ' HA ' ' A' ' 32' ' ' PHE . 29.6 p-10 -116.14 168.51 10.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.9 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.3 mm -65.26 -29.97 48.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.215 -176.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.0 mp -76.98 30.45 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 -171.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -144.48 5.74 1.24 Allowed 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 178.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.8 pp -151.82 162.72 40.58 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -176.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.426 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 11.7 pt-20 -138.54 148.13 57.7 Favored Pre-proline 0 N--CA 1.451 -0.42 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.018 175.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 55' ' ' GLU . 14.2 Cg_exo -69.4 146.94 64.02 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.97 2.446 . . . . 0.0 112.77 -179.017 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.3 p -130.68 143.98 51.12 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.461 -179.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.462 ' CG ' ' H ' ' A' ' 59' ' ' LYS . 6.3 t70 55.9 -151.74 0.39 Allowed 'General case' 0 CA--C 1.536 0.417 0 O-C-N 124.054 0.846 . . . . 0.0 111.692 173.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.462 ' H ' ' CG ' ' A' ' 58' ' ' ASP . 29.5 mtmm -94.18 166.87 11.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.668 -174.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.508 ' HB3' ' HB2' ' A' ' 8' ' ' ARG . 3.4 ptmm? -103.66 154.39 19.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.983 0.421 . . . . 0.0 111.213 178.024 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.451 HG12 ' O ' ' A' ' 7' ' ' GLY . 29.8 pt -96.51 152.32 3.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 169.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -85.15 94.01 8.78 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.167 0.508 . . . . 0.0 111.703 -176.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.536 ' CG2' ' HG3' ' A' ' 75' ' ' LYS . 30.6 pt -134.58 173.47 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.486 174.261 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -121.97 172.36 8.27 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.582 178.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.403 ' HE2' ' H ' ' A' ' 27' ' ' ILE . 60.7 tttm -56.77 123.42 14.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.181 -174.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.94 47.27 1.27 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.33 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -96.07 132.63 41.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.689 -0.301 . . . . 0.0 111.049 -179.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.6 m -93.08 171.63 8.82 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.842 179.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -54.21 -50.6 66.74 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 122.726 0.41 . . . . 0.0 111.132 178.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -57.99 -44.85 87.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.804 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.585 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 5.0 tp10 -58.51 -55.81 30.19 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.638 179.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 96.3 t -59.84 -39.3 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-O 121.119 0.485 . . . . 0.0 110.634 -179.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.589 ' HE2' ' HB3' ' A' ' 40' ' ' ASP . 33.6 ttmt -56.94 -48.78 77.51 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.955 178.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.488 ' O ' ' HB3' ' A' ' 77' ' ' GLU . 9.1 tmtm? -72.65 -36.37 67.96 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.626 -176.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.585 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 74.9 mmtt -65.64 -45.7 82.01 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.803 0.335 . . . . 0.0 110.602 177.178 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 39.0 tp -63.09 -30.36 71.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.228 0.537 . . . . 0.0 110.05 177.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.488 ' HB3' ' O ' ' A' ' 74' ' ' LYS . 45.2 tt0 -63.7 -48.14 78.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.354 176.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -61.01 -49.38 77.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.205 178.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.4 m -66.71 -27.34 67.55 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 120.832 0.349 . . . . 0.0 110.888 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 65.65 52.9 1.26 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.784 178.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -117.37 22.64 12.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.888 176.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.3 m -54.93 -39.59 68.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.801 -177.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -59.52 -43.86 93.32 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.309 -178.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -65.12 -34.21 77.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.022 -177.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.71 -51.56 8.54 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.881 -176.472 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -66.31 -41.38 89.8 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.421 -175.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -71.4 128.07 34.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.444 0.64 . . . . 0.0 109.79 179.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt . . . . . 0 C--N 1.317 -0.81 0 CA-C-O 121.523 0.677 . . . . 0.0 110.647 -177.915 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.6 mm . . . . . 0 C--O 1.234 0.28 0 CA-C-O 121.525 0.678 . . . . 0.0 111.808 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.535 ' OE2' ' HD2' ' A' ' 8' ' ' ARG . 0.6 OUTLIER -139.46 177.4 7.96 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.012 176.083 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.444 ' HB ' HD12 ' A' ' 63' ' ' ILE . 6.2 m -72.41 121.91 23.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.32 0.581 . . . . 0.0 111.348 -178.426 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.03 4.14 48.13 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.365 -179.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.535 ' HD2' ' OE2' ' A' ' 5' ' ' GLU . 39.6 ttt85 -83.61 121.77 27.69 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.825 0.345 . . . . 0.0 110.738 -179.409 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.777 HG13 HG22 ' A' ' 23' ' ' VAL . 3.1 mp -81.22 133.08 30.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 175.176 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.4 m -126.21 145.08 50.53 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.896 178.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.0 p -102.68 149.83 6.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.043 0.449 . . . . 0.0 110.189 -179.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -76.83 132.75 39.36 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.423 -179.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.4 t . . . . . 0 C--N 1.326 -0.449 0 CA-C-O 122.082 0.944 . . . . 0.0 109.37 178.24 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.6 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.3 m -129.02 106.48 8.91 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.004 0.431 . . . . 0.0 110.788 -178.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -103.27 144.31 31.52 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.479 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 61.8 m -139.77 152.79 46.88 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.659 0.266 . . . . 0.0 110.58 -178.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.777 HG22 HG13 ' A' ' 9' ' ' ILE . 45.4 t -112.35 132.45 61.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.53 -177.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 63.8 mt -78.89 109.82 13.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 175.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.2 t -101.87 -27.59 3.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.738 -178.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.415 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 18.2 t0 -138.78 129.98 26.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.148 0.499 . . . . 0.0 111.022 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 57.2 mt -99.56 97.98 6.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.452 -0.795 . . . . 0.0 108.884 175.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.4 HD11 ' HB2' ' A' ' 34' ' ' LEU . 24.9 mt -74.92 -57.6 6.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.62 -175.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -118.34 -177.31 3.26 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.073 176.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -76.7 -40.21 49.5 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.166 0.507 . . . . 0.0 110.105 178.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -95.19 -14.62 23.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.228 -179.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.611 ' CE2' ' HB3' ' A' ' 48' ' ' ARG . 3.2 t80 -123.91 123.37 40.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.437 -171.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.4 m -125.23 169.76 16.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.989 0.423 . . . . 0.0 111.361 -176.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.415 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . 51.3 tp -111.88 116.25 30.34 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.605 177.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 31.5 m -112.86 149.13 15.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.35 0.595 . . . . 0.0 110.996 -178.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.6 t -166.67 -177.19 3.81 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.328 -0.851 . . . . 0.0 108.761 177.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.96 167.74 30.0 Favored Glycine 0 N--CA 1.441 -1.003 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.682 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 22.8 Cg_exo -63.84 125.33 15.16 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.223 1.949 . . . . 0.0 110.63 175.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.486 ' N ' ' HD2' ' A' ' 39' ' ' LYS . 11.5 mptt -77.55 -25.51 50.15 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.216 0.531 . . . . 0.0 110.037 -176.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -83.3 -16.49 46.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.703 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.682 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 64.5 mt -108.34 -51.51 7.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.683 -178.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.5 m -112.56 -48.66 3.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.713 0.292 . . . . 0.0 111.109 -174.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.425 ' HA2' ' HA ' ' A' ' 39' ' ' LYS . . . 101.21 22.86 10.15 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.767 -179.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.445 ' O ' ' HE3' ' A' ' 39' ' ' LYS . 52.8 t -86.41 123.42 39.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.842 0.353 . . . . 0.0 110.395 178.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -79.95 179.37 7.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.678 -178.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 46' ' ' ARG . 34.4 ttm180 -89.64 126.06 35.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.74 179.175 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 47' ' ' ARG . 14.0 ptm180 -149.38 152.46 35.8 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.246 175.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.611 ' HB3' ' CE2' ' A' ' 32' ' ' PHE . 72.0 mtm180 -90.77 144.43 25.73 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 177.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.0 p -152.6 156.96 5.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.894 0.378 . . . . 0.0 110.53 -179.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.43 ' HB2' HD13 ' A' ' 52' ' ' LEU . 31.5 p30 -90.59 161.5 15.4 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.823 176.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.9 pt -83.59 5.67 2.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.011 0.434 . . . . 0.0 111.247 179.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.43 HD13 ' HB2' ' A' ' 50' ' ' ASN . 8.0 mp -85.47 -10.65 55.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.488 -174.102 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 24.0 t60 -131.81 30.76 4.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.07 0.462 . . . . 0.0 110.631 -178.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.7 mt -129.38 140.75 51.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.042 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -120.4 141.14 31.4 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.116 173.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.431 ' HB3' ' HE ' ' A' ' 8' ' ' ARG . 96.3 Cg_endo -79.43 141.16 15.7 Favored 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 122.589 2.193 . . . . 0.0 112.774 -177.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.6 p -81.68 172.83 12.95 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.403 175.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -66.86 -35.4 79.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.039 0.447 . . . . 0.0 110.956 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -120.64 145.42 47.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.562 -173.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.657 ' HA ' HD13 ' A' ' 9' ' ' ILE . 1.0 OUTLIER -141.92 -177.05 5.02 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.246 174.062 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 38.1 pt -122.78 175.58 5.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -124.2 110.72 15.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.668 0.27 . . . . 0.0 110.6 -176.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.444 HD12 ' HB ' ' A' ' 6' ' ' VAL . 2.4 pp -137.92 -179.79 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.486 177.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.535 ' NE2' ' H ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -104.62 155.39 18.89 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 175.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.535 ' H ' ' NE2' ' A' ' 64' ' ' GLN . 28.5 ttmt -59.5 136.32 57.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.047 0.451 . . . . 0.0 110.799 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.56 30.66 12.95 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.05 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.05 141.28 40.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.758 0.313 . . . . 0.0 110.729 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.8 p -84.71 172.18 11.73 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.642 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.434 ' OD2' ' HA ' ' A' ' 38' ' ' PRO . 14.6 t70 -57.05 -36.54 70.63 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.528 0.68 . . . . 0.0 109.543 175.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.553 ' O ' ' HG3' ' A' ' 74' ' ' LYS . 0.8 OUTLIER -75.11 -39.23 60.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.405 -178.649 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -65.49 -46.51 79.44 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.85 0.357 . . . . 0.0 110.505 178.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 86.2 t -61.98 -38.51 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 175.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.658 ' HG3' HD11 ' A' ' 41' ' ' ILE . 34.3 ttmt -60.12 -43.87 95.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.965 177.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.553 ' HG3' ' O ' ' A' ' 70' ' ' GLU . 67.6 mttm -56.24 -58.27 8.68 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-O 120.983 0.421 . . . . 0.0 110.565 177.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.1 mmtt -66.26 -37.37 85.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.455 -176.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.4 HD23 HD13 ' A' ' 41' ' ' ILE . 25.2 tp -62.18 -41.66 98.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.066 0.46 . . . . 0.0 109.778 178.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.62 -47.28 67.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.847 177.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -56.41 -48.9 76.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.986 -178.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.0 m -77.06 -6.03 51.14 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.841 0.311 . . . . 0.0 111.841 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.442 ' N ' HD22 ' A' ' 80' ' ' ASN . 0.9 OUTLIER 69.35 27.36 5.07 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 122.759 0.424 . . . . 0.0 111.548 177.239 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 81' ' ' LEU . 3.2 mm? -96.29 0.82 51.37 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.458 -178.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.8 m -57.6 -46.03 84.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.579 -177.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -62.33 -49.83 74.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.186 0.517 . . . . 0.0 110.424 -177.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -68.51 -28.25 66.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.414 -177.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.47 -44.52 51.15 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -70.24 -26.56 63.9 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.103 -178.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -58.59 121.59 11.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.076 -179.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.768 ' HD3' ' H ' ' A' ' 88' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.295 -178.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.9 mm . . . . . 0 C--O 1.232 0.147 0 CA-C-O 121.605 0.717 . . . . 0.0 109.177 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -147.88 142.59 26.66 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.448 -0.797 . . . . 0.0 109.886 -171.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.575 HG11 ' HG3' ' A' ' 65' ' ' LYS . 26.0 m -60.08 139.43 19.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.242 0.544 . . . . 0.0 110.717 -179.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.38 -22.69 39.42 Favored Glycine 0 N--CA 1.443 -0.881 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.276 -178.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -87.17 137.96 31.9 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.422 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.543 HG12 HG22 ' A' ' 23' ' ' VAL . 45.8 mt -75.71 145.09 11.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.09 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 72.9 m -136.91 155.6 49.55 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 176.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.2 p -133.03 151.64 34.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.832 -175.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.536 ' HD3' ' HB3' ' A' ' 20' ' ' SER . 12.1 mptt -64.39 125.88 26.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.323 176.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.3 t . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.641 -178.994 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.405 ' HA2' ' O ' ' A' ' 88' ' ' LYS . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 113.993 0.357 . . . . 0.0 113.993 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.536 ' HB3' ' HD3' ' A' ' 12' ' ' LYS . 21.0 t -148.26 92.06 1.98 Allowed 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.505 0.669 . . . . 0.0 109.675 173.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt -103.13 142.34 34.31 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.737 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 73.0 m -148.65 154.69 40.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.255 -178.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.543 HG22 HG12 ' A' ' 9' ' ' ILE . 47.5 t -104.03 140.58 21.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 178.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 56.1 mt -71.14 96.93 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 173.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.428 ' HB ' ' O ' ' A' ' 67' ' ' ALA . 32.8 m -87.26 -28.48 5.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.277 -174.475 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -163.4 152.68 14.7 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.409 -176.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.435 HG23 HG12 ' A' ' 33' ' ' VAL . 60.0 mt -103.98 117.74 50.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.024 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.571 HD11 HD12 ' A' ' 34' ' ' LEU . 49.7 mm -82.89 -58.94 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.21 0.528 . . . . 0.0 111.022 -176.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.508 ' CG ' ' H ' ' A' ' 30' ' ' ASP . 22.0 t70 -119.32 -165.25 1.13 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.153 -0.931 . . . . 0.0 108.848 -175.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.508 ' H ' ' CG ' ' A' ' 29' ' ' ASP . 21.0 t70 -89.26 -26.78 21.0 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-O 121.606 0.717 . . . . 0.0 109.298 176.68 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -105.85 -25.2 12.25 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.135 -0.938 . . . . 0.0 110.551 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.47 ' H ' ' HB3' ' A' ' 29' ' ' ASP . 95.9 m-85 -114.04 136.71 52.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.84 -174.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.435 HG12 HG23 ' A' ' 27' ' ' ILE . 26.8 m -121.71 170.99 11.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.431 176.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.571 HD12 HD11 ' A' ' 28' ' ' ILE . 4.9 tt -109.2 116.46 31.96 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.4 m -122.3 136.01 60.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.251 178.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.3 t -150.97 174.73 12.8 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.973 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -133.63 141.09 12.39 Favored Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo -47.71 133.98 21.97 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 123.715 2.943 . . . . 0.0 112.527 -176.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -56.82 -58.56 7.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.481 -171.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -72.45 -16.18 61.82 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.724 -172.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.441 HD13 HG23 ' A' ' 82' ' ' THR . 68.7 mt -98.53 -52.93 8.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.971 0.415 . . . . 0.0 111.081 -175.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.2 m -115.26 -59.34 2.02 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.519 -178.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.03 67.27 1.48 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.748 178.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.5 t -120.73 110.28 27.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 122.72 -0.282 . . . . 0.0 110.799 179.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -66.74 136.95 56.27 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 177.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.405 ' HG3' HD21 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -85.07 149.55 25.48 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.234 0.54 . . . . 0.0 112.44 -168.368 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 53.5 mtm180 -143.84 161.73 37.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.02 -0.991 . . . . 0.0 108.753 170.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 67.7 mtt85 -68.82 110.54 4.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.799 0.333 . . . . 0.0 111.157 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 56.5 t -113.78 138.97 41.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.8 p30 -88.35 158.26 18.47 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.053 0.454 . . . . 0.0 110.992 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 30.1 pt -83.74 10.38 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.999 -176.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -95.32 -32.45 12.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.904 0.383 . . . . 0.0 110.82 -179.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -107.79 21.65 17.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.087 0.47 . . . . 0.0 110.398 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 46.2 tp -132.32 127.93 36.62 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.034 -178.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.445 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 44.9 mt-10 -116.82 140.94 27.49 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 178.007 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 55' ' ' GLU . 3.7 Cg_exo -78.81 144.15 19.08 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 123.029 2.486 . . . . 0.0 113.05 -174.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.0 m -83.73 164.31 19.68 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.24 175.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -65.29 -29.35 70.1 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -175.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -88.33 146.94 25.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.142 0.496 . . . . 0.0 112.14 -173.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 67.0 tttt -147.27 131.74 17.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.186 177.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.2 pt -98.52 112.45 30.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 171.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -77.65 101.52 6.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.015 0.436 . . . . 0.0 110.765 -174.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 12.5 pt -134.7 -177.37 2.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.373 -178.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -75.11 154.84 37.62 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.718 177.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.575 ' HG3' HG11 ' A' ' 6' ' ' VAL . 28.9 ttpp -69.37 130.2 41.89 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 178.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.21 54.12 0.81 Allowed Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 110.619 -0.993 . . . . 0.0 110.619 -173.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.428 ' O ' ' HB ' ' A' ' 25' ' ' VAL . . . -76.92 113.29 14.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.04 0.448 . . . . 0.0 111.28 -176.338 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.9 m -86.76 166.44 15.25 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.415 177.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 10.0 t70 -52.35 -38.44 58.7 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.193 0.52 . . . . 0.0 110.35 176.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.552 ' HG2' ' HE3' ' A' ' 74' ' ' LYS . 22.5 tt0 -59.85 -53.03 62.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.665 177.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.0 tp10 -62.75 -47.49 83.3 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.786 -175.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 71.5 t -62.0 -38.56 81.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.452 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 69' ' ' ASP . 30.3 ttmt -64.64 -44.45 90.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.691 -177.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.552 ' HE3' ' HG2' ' A' ' 70' ' ' GLU . 99.6 mttt -60.25 -56.83 16.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.846 179.133 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.6 -29.47 65.88 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.298 -172.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.45 HD21 ' HG3' ' A' ' 85' ' ' MET . 46.7 tp -68.54 -37.42 79.96 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.104 176.249 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.74 -43.77 95.49 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 177.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -62.31 -36.72 83.01 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.278 177.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.8 t -73.59 -23.58 59.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.267 -177.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.7 m120 70.49 14.64 7.32 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 123.579 0.549 . . . . 0.0 111.393 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -95.64 17.39 14.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.119 0.485 . . . . 0.0 110.655 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.441 HG23 HD13 ' A' ' 41' ' ' ILE . 1.8 m -56.93 -43.99 82.03 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.411 -178.293 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -60.03 -38.02 81.49 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.76 -177.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -60.69 -27.43 67.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.439 -178.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.45 ' HG3' HD21 ' A' ' 76' ' ' LEU . 21.9 mmt -71.8 -45.02 62.92 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.324 -178.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -86.63 -28.96 22.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.612 0.244 . . . . 0.0 111.304 -174.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -70.6 135.93 48.82 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 176.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.405 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 63.1 mttp . . . . . 0 C--O 1.235 0.337 0 O-C-N 123.734 0.646 . . . . 0.0 110.996 -173.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.49 HG23 HD13 ' A' ' 24' ' ' ILE . 86.0 mt . . . . . 0 CA--C 1.532 0.284 0 CA-C-O 121.501 0.667 . . . . 0.0 110.583 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -143.59 157.08 44.69 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.219 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.51 HG11 ' HG3' ' A' ' 65' ' ' LYS . 21.4 m -61.85 139.94 19.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.208 0.527 . . . . 0.0 111.55 -179.054 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.494 ' HA3' ' O ' ' A' ' 61' ' ' ILE . . . 88.5 -8.16 79.75 Favored Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.759 178.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.9 ttt180 -94.27 133.82 37.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.899 0.381 . . . . 0.0 110.145 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.709 HG13 HG22 ' A' ' 23' ' ' VAL . 4.0 mp -80.97 132.47 31.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.191 -178.513 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.8 p -118.75 154.59 32.55 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.728 176.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.0 p -110.89 144.0 19.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 120.881 0.372 . . . . 0.0 110.714 -178.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -72.72 102.22 3.28 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 177.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--N 1.325 -0.461 0 CA-C-O 122.764 1.268 . . . . 0.0 110.234 -175.628 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 N-CA-C 111.811 -0.516 . . . . 0.0 111.811 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.9 m -116.57 98.96 6.83 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.968 0.413 . . . . 0.0 110.319 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -95.9 128.71 43.02 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.179 174.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 34.1 m -127.78 143.02 51.15 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.054 0.454 . . . . 0.0 110.199 -179.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.709 HG22 HG13 ' A' ' 9' ' ' ILE . 47.1 t -97.71 133.31 40.09 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.922 -178.37 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.49 HD13 HG23 ' A' ' 4' ' ' ILE . 57.2 mt -73.37 99.78 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 175.087 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 62.1 t -83.65 -46.56 18.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.043 -173.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.586 ' HB2' ' HA2' ' A' ' 66' ' ' GLY . 33.2 t70 -141.97 126.2 17.51 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 -178.048 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 67.4 mt -85.7 109.82 18.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.269 175.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 40.7 mt -96.34 -59.92 2.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.315 0.578 . . . . 0.0 110.408 -176.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.536 ' HB3' ' HB2' ' A' ' 32' ' ' PHE . 16.9 t70 -110.24 -163.38 0.85 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.273 -0.876 . . . . 0.0 108.866 -178.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.485 ' H ' ' CG ' ' A' ' 29' ' ' ASP . 17.6 t70 -93.77 -33.96 13.38 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 177.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.584 ' O ' ' HA ' ' A' ' 50' ' ' ASN . 58.7 t30 -114.91 1.35 14.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.468 -179.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.536 ' HB2' ' HB3' ' A' ' 29' ' ' ASP . 62.1 m-85 -129.48 121.31 27.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.84 178.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.593 HG23 HG13 ' A' ' 35' ' ' VAL . 33.9 m -132.04 169.04 22.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 176.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.6 tt -94.56 115.62 27.8 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 176.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.593 HG13 HG23 ' A' ' 33' ' ' VAL . 16.0 m -124.7 143.54 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.583 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.0 t -172.09 -175.19 1.41 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.527 177.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.414 ' H ' ' HB ' ' A' ' 44' ' ' VAL . . . -135.7 138.85 10.26 Favored Glycine 0 N--CA 1.442 -0.921 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 178.315 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.616 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 90.8 Cg_exo -43.39 132.74 6.92 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 123.467 2.778 . . . . 0.0 112.898 -176.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.406 ' H ' ' HG3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -77.14 -8.71 57.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.046 -0.525 . . . . 0.0 112.035 -171.791 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.623 ' HB2' ' HE2' ' A' ' 73' ' ' LYS . 40.2 m-20 -103.13 -4.45 24.44 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.975 173.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.616 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 66.1 mt -121.74 -63.18 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 121.016 -0.273 . . . . 0.0 111.697 -175.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -97.33 -51.24 4.24 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.883 0.373 . . . . 0.0 111.136 -173.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.76 52.82 4.23 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.385 -178.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.414 ' HB ' ' H ' ' A' ' 37' ' ' GLY . 58.1 t -95.2 146.92 6.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 122.662 -0.317 . . . . 0.0 110.227 -179.524 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.503 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -81.91 138.4 35.02 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.008 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -80.88 116.6 20.94 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.143 -0.48 . . . . 0.0 112.026 -173.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 47' ' ' ARG . 8.7 mtt180 -148.48 150.1 32.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.037 172.187 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 71.5 mtm180 -105.78 122.07 45.34 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 175.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 20.6 m -130.99 176.74 8.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.232 -176.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.584 ' HA ' ' O ' ' A' ' 31' ' ' ASN . 13.0 m120 -77.55 127.99 33.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.31 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.465 HG13 ' HA ' ' A' ' 31' ' ' ASN . 2.8 pp -72.24 -2.95 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -174.178 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.21 -21.1 66.45 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -177.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.9 m80 -116.7 22.42 12.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.02 0.438 . . . . 0.0 110.959 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 54' ' ' LEU . 3.6 mm? -118.01 126.44 52.32 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 173.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.415 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 42.4 mt-10 -120.21 134.51 24.08 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 55' ' ' GLU . 5.9 Cg_exo -73.61 155.22 49.87 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.847 2.365 . . . . 0.0 112.911 -175.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.512 ' HB ' ' OH ' ' A' ' 84' ' ' TYR . 28.4 p -93.63 -170.87 2.46 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.831 177.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -61.35 -56.03 25.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.08 0.467 . . . . 0.0 112.116 -176.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -113.19 165.78 12.08 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.344 0.592 . . . . 0.0 112.359 -166.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -141.01 156.56 46.01 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.231 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.586 HD11 HG13 ' A' ' 72' ' ' VAL . 22.3 pt -106.57 122.41 60.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 169.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -78.98 101.2 7.65 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.121 0.486 . . . . 0.0 110.955 -172.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.9 pt -120.3 -178.13 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.633 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -85.56 149.29 25.46 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.886 177.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.51 ' HG3' HG11 ' A' ' 6' ' ' VAL . 23.4 ttpp -66.49 110.13 3.03 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.586 ' HA2' ' HB2' ' A' ' 26' ' ' ASP . . . 94.89 44.79 3.26 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.989 -178.117 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.7 174.75 10.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.073 0.463 . . . . 0.0 111.294 -179.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.8 m -106.51 167.51 9.79 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.338 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -51.49 -46.31 63.14 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.42 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -61.1 -42.1 97.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.545 -175.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -67.03 -48.68 67.6 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.86 0.362 . . . . 0.0 110.524 -178.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.586 HG13 HD11 ' A' ' 61' ' ' ILE . 84.2 t -57.82 -47.16 86.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.372 0.606 . . . . 0.0 110.245 178.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.623 ' HE2' ' HB2' ' A' ' 40' ' ' ASP . 27.3 ttmt -57.21 -49.27 76.53 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.115 178.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 30.2 tttm -65.68 -43.03 90.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.464 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.543 ' HA ' ' HE3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -59.85 -39.98 87.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.793 179.859 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 50.1 mt -60.6 -50.71 72.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.674 176.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -61.51 -50.8 71.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.855 178.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -58.95 -37.61 77.14 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.634 -1.166 . . . . 0.0 111.82 -174.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.6 m -93.48 -1.73 55.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.379 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.5 m120 63.82 27.49 14.58 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.471 -178.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 81' ' ' LEU . 3.4 mm? -89.15 12.88 14.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.023 0.44 . . . . 0.0 110.502 178.164 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.3 m -59.55 -41.62 90.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.123 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -60.78 -51.03 71.07 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 120.913 0.387 . . . . 0.0 110.973 -178.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.512 ' OH ' ' HB ' ' A' ' 57' ' ' THR . 41.1 t80 -65.33 -20.77 66.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.669 -174.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.39 -45.93 5.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.66 0.267 . . . . 0.0 110.937 -177.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -63.99 -33.12 75.0 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.088 0.47 . . . . 0.0 110.704 -178.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -63.73 136.46 57.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.098 178.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.5 pttm . . . . . 0 C--N 1.324 -0.54 0 CA-C-O 120.724 0.297 . . . . 0.0 110.427 178.92 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.45 ' N ' HD12 ' A' ' 4' ' ' ILE . 4.1 mp . . . . . 0 N--CA 1.455 -0.188 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.444 ' HB2' ' HB2' ' A' ' 8' ' ' ARG . 58.3 mm-40 -133.58 155.36 49.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.558 -175.362 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.9 m -76.28 125.28 35.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 174.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.69 3.67 64.23 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.929 -175.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.547 ' HD2' ' O ' ' A' ' 57' ' ' THR . 5.7 tpp180 -88.89 127.34 35.64 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.955 0.407 . . . . 0.0 110.446 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.2 mt -76.87 129.12 37.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.521 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.657 ' HA ' ' HA ' ' A' ' 56' ' ' PRO . 44.7 m -114.84 142.55 46.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.254 178.441 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.9 p -128.53 148.53 32.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.364 0.602 . . . . 0.0 110.933 -177.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.63 ' HB3' ' HB2' ' A' ' 20' ' ' SER . 22.3 tptm -92.85 121.64 34.42 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.507 -179.519 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.8 m . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.296 179.601 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.065 -0.414 . . . . 0.0 112.065 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.63 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 15.8 m -115.46 108.72 16.85 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 175.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.418 ' HE2' ' O ' ' A' ' 84' ' ' TYR . 46.8 mttp -125.72 143.22 51.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.958 179.233 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.424 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 77.4 m -148.99 155.92 41.51 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.417 HG21 HD11 ' A' ' 61' ' ' ILE . 9.4 p -117.25 134.96 59.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 120.656 0.265 . . . . 0.0 110.54 178.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 65.3 mt -73.64 109.66 6.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.339 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 63.1 t -88.66 -53.56 9.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.153 -178.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -138.96 140.3 38.22 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.362 -176.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.476 HG23 HG12 ' A' ' 33' ' ' VAL . 56.4 mt -106.17 110.62 32.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 120.925 0.393 . . . . 0.0 109.953 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.443 HD11 ' HB2' ' A' ' 34' ' ' LEU . 4.5 mp -94.98 -65.91 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.09 -178.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.787 ' HB2' ' HB2' ' A' ' 32' ' ' PHE . 5.7 m-20 -94.92 -176.64 3.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.746 179.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -71.11 -41.76 70.15 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.94 -176.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -112.91 -25.44 9.01 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.816 0.341 . . . . 0.0 110.816 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.787 ' HB2' ' HB2' ' A' ' 29' ' ' ASP . 65.7 m-85 -84.05 105.11 14.66 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.213 0.53 . . . . 0.0 111.285 178.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.476 HG12 HG23 ' A' ' 27' ' ' ILE . 31.6 m -111.32 161.75 9.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.372 178.476 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.443 ' HB2' HD11 ' A' ' 28' ' ' ILE . 6.3 tt -98.05 116.79 30.99 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 177.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.424 ' HB ' ' HB3' ' A' ' 22' ' ' CYS . 35.4 m -118.17 160.75 17.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.255 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.6 t -145.23 148.43 33.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.983 0.42 . . . . 0.0 110.392 177.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -107.4 102.11 1.77 Allowed Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 109.925 -1.27 . . . . 0.0 109.925 171.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.675 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 56.8 Cg_exo -36.45 123.97 0.35 Allowed 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 124.455 3.437 . . . . 0.0 113.971 -171.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.3 tptt -54.22 -47.92 71.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.463 -0.789 . . . . 0.0 112.435 -173.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -86.93 -0.43 56.53 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -174.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.675 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 4.6 mp -122.08 -69.52 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.272 -175.189 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.8 m -84.53 -37.16 21.6 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.872 0.368 . . . . 0.0 110.56 -177.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.4 44.78 57.74 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.941 176.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.402 ' HB ' ' H ' ' A' ' 45' ' ' LYS . 27.9 t -104.4 -95.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 O-C-N 122.701 -0.294 . . . . 0.0 110.261 178.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.413 ' HG3' ' H ' ' A' ' 46' ' ' ARG . 13.7 tptm 174.8 179.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 -178.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.413 ' H ' ' HG3' ' A' ' 45' ' ' LYS . 22.9 ptt180 -118.34 145.82 44.83 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 176.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -172.47 172.36 4.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 123.211 0.319 . . . . 0.0 110.326 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.0 mtm180 -94.17 142.9 26.88 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 172.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.1 p -150.56 145.92 16.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 120.956 0.408 . . . . 0.0 110.543 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -86.86 109.05 19.04 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.363 0.601 . . . . 0.0 110.029 175.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.5 pt -78.21 82.27 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.627 0.727 . . . . 0.0 110.696 -178.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 44.6 tp -106.85 -31.96 8.14 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.227 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 46.3 m-70 -122.14 21.95 10.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.992 0.425 . . . . 0.0 111.019 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.2 mp -117.45 135.27 54.02 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.486 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 44.0 mt-10 -117.13 121.08 32.89 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-O 120.967 0.413 . . . . 0.0 111.16 -176.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.657 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 17.5 Cg_exo -68.61 151.59 74.99 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 123.374 2.716 . . . . 0.0 112.988 176.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.547 ' O ' ' HD2' ' A' ' 8' ' ' ARG . 37.5 p -85.41 178.12 7.55 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.602 177.016 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -85.56 -17.76 35.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.797 0.332 . . . . 0.0 110.594 178.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -85.23 144.97 27.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.073 0.463 . . . . 0.0 110.467 175.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.98 157.48 44.51 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.999 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.443 HG13 HG12 ' A' ' 63' ' ' ILE . 26.2 pt -96.46 143.22 12.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 172.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -86.09 46.57 1.34 Allowed 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.132 0.492 . . . . 0.0 111.688 -168.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.465 HD12 ' HB3' ' A' ' 67' ' ' ALA . 48.0 pt -89.74 -172.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.372 177.029 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -122.37 178.25 5.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.798 0.333 . . . . 0.0 111.066 -179.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -69.6 108.81 4.0 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.416 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.34 44.71 3.42 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.142 -178.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.465 ' HB3' HD12 ' A' ' 63' ' ' ILE . . . -93.58 125.97 38.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.68 0.276 . . . . 0.0 110.363 177.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.9 p -67.41 166.8 13.83 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.722 -176.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.433 ' OD2' ' HA ' ' A' ' 38' ' ' PRO . 10.3 t70 -59.69 -30.66 68.93 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.3 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -58.24 -47.49 83.38 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.368 176.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -68.07 -42.71 80.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.473 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.402 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 57.8 t -61.64 -46.76 95.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.506 178.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -56.87 -49.09 76.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.848 177.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.92 -51.25 70.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.444 178.47 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.467 ' HD2' ' HA ' ' A' ' 75' ' ' LYS . 32.5 tptt -64.71 -36.76 85.31 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.307 -175.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.411 HD11 ' HG2' ' A' ' 38' ' ' PRO . 32.7 mt -60.57 -40.49 91.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.349 . . . . 0.0 110.762 177.071 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -72.61 -50.89 22.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.926 176.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -59.69 -50.36 74.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.336 -175.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.1 m -84.03 -5.77 59.29 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.979 -175.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 18.6 m120 65.41 48.53 2.06 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.043 0.449 . . . . 0.0 111.249 177.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -122.51 17.41 10.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.713 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.5 t -77.15 -39.21 49.99 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -172.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -55.84 -47.03 77.96 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.738 -176.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.418 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 65.8 t80 -61.53 -31.93 71.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.432 -176.283 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.8 mmt -77.71 -20.81 52.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.73 0.3 . . . . 0.0 111.595 -178.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -100.12 -33.91 10.27 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.139 -174.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -71.97 123.4 22.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.854 0.359 . . . . 0.0 111.356 -178.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.332 -0.195 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.888 173.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.429 HG23 HD13 ' A' ' 24' ' ' ILE . 47.0 mm . . . . . 0 C--O 1.233 0.201 0 CA-C-O 121.655 0.74 . . . . 0.0 109.024 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -119.61 150.13 40.81 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.466 -172.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.42 HG11 ' HG2' ' A' ' 65' ' ' LYS . 16.4 m -69.49 115.98 9.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.523 0.678 . . . . 0.0 110.139 175.468 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.49 13.33 41.73 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.393 -0.908 . . . . 0.0 112.671 -178.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -105.88 120.03 40.7 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 174.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.4 mt -69.01 137.0 25.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.55 -174.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 23.3 m -134.16 124.72 26.53 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.382 0.61 . . . . 0.0 110.282 176.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.4 p -88.61 151.84 3.44 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.94 -175.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.587 ' HE2' ' N ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -83.96 104.22 13.85 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.755 -179.405 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.3 p . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 121.154 0.502 . . . . 0.0 110.394 178.268 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.396 0 N-CA-C 111.427 -0.669 . . . . 0.0 111.427 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.437 ' HB2' ' HD2' ' A' ' 12' ' ' LYS . 1.3 p -71.39 100.23 2.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.339 0.59 . . . . 0.0 110.836 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -107.59 141.72 38.62 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.595 -177.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.467 ' SG ' ' HE3' ' A' ' 12' ' ' LYS . 73.4 m -148.95 156.74 42.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.021 178.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.4 p -119.69 143.5 31.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.333 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.429 HD13 HG23 ' A' ' 4' ' ' ILE . 65.3 mt -78.98 118.77 26.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 176.484 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.8 m -107.86 -28.64 2.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.914 -177.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -153.79 142.81 21.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.873 0.368 . . . . 0.0 110.736 -178.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.491 HG23 HG12 ' A' ' 33' ' ' VAL . 48.6 mt -102.5 109.13 25.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 178.115 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.551 HG13 ' HD3' ' A' ' 48' ' ' ARG . 40.6 mm -78.4 -64.29 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.105 0.479 . . . . 0.0 110.909 -176.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.438 ' HB3' ' H ' ' A' ' 32' ' ' PHE . 8.3 t70 -108.11 -159.41 0.69 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 -177.383 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -80.75 -32.71 35.51 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.43 0.633 . . . . 0.0 109.354 176.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -114.86 -37.32 4.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.755 178.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.438 ' H ' ' HB3' ' A' ' 29' ' ' ASP . 55.1 m-85 -72.24 104.59 3.73 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-O 121.097 0.475 . . . . 0.0 111.308 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.491 HG12 HG23 ' A' ' 27' ' ' ILE . 28.2 m -108.03 154.05 9.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.17 176.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.49 HD11 ' HD2' ' A' ' 46' ' ' ARG . 1.8 tm? -96.42 115.79 28.0 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 29.6 m -122.71 147.0 27.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.241 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.532 ' HB ' ' HB3' ' A' ' 46' ' ' ARG . 9.1 t -149.35 153.9 38.13 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.727 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.518 ' HA3' ' HB ' ' A' ' 44' ' ' VAL . . . -104.68 111.28 3.75 Favored Glycine 0 N--CA 1.441 -1.009 0 N-CA-C 110.441 -1.063 . . . . 0.0 110.441 172.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.924 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 74.7 Cg_exo -24.23 114.62 0.03 OUTLIER 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 125.263 3.976 . . . . 0.0 114.605 -173.694 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -48.14 -54.23 14.02 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 114.827 -1.079 . . . . 0.0 112.25 -173.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -102.38 28.35 6.01 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.508 0.67 . . . . 0.0 111.168 -175.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.924 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 69.1 mt -121.92 -53.9 3.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 172.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.663 HG23 ' H ' ' A' ' 43' ' ' GLY . 1.8 t -115.54 -67.89 0.96 Allowed 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 172.054 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.663 ' H ' HG23 ' A' ' 42' ' ' THR . . . 118.69 63.92 0.29 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.527 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.518 ' HB ' ' HA3' ' A' ' 37' ' ' GLY . 60.8 t -121.18 111.01 29.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 179.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -52.14 130.92 31.54 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.167 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.532 ' HB3' ' HB ' ' A' ' 36' ' ' THR . 27.3 ptt180 -71.84 134.11 45.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.186 -176.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 46.4 mtm180 -141.42 170.49 15.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.608 178.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.551 ' HD3' HG13 ' A' ' 28' ' ' ILE . 43.0 mtm180 -102.18 131.28 48.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.5 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 32' ' ' PHE . 7.1 p -129.65 142.03 44.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.975 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -88.45 31.0 0.84 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.637 -175.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 64.6 mt 59.1 91.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.547 0.689 . . . . 0.0 110.888 -175.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.1 tt -173.61 -42.11 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.279 -176.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -89.52 13.07 14.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.492 -177.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -153.63 154.01 33.38 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.703 0.287 . . . . 0.0 111.357 -176.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -127.94 141.51 41.42 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.086 173.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -59.76 129.06 29.08 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.57 2.18 . . . . 0.0 111.47 175.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.3 m -98.96 163.18 12.7 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 -174.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -56.45 -32.85 65.32 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.118 -0.946 . . . . 0.0 112.724 -176.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.509 ' N ' ' HD2' ' A' ' 59' ' ' LYS . 3.6 mptp? -93.28 135.84 34.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.301 0.572 . . . . 0.0 111.798 -172.229 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.766 ' HE2' ' HB2' ' A' ' 62' ' ' ASP . 81.9 tttt -139.61 125.55 19.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.874 178.341 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.436 HG21 HD23 ' A' ' 76' ' ' LEU . 12.7 pt -92.92 -31.05 4.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.767 0.318 . . . . 0.0 110.648 177.418 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.766 ' HB2' ' HE2' ' A' ' 60' ' ' LYS . 33.2 t70 64.52 112.98 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.854 -1.066 . . . . 0.0 111.592 178.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.789 HG22 ' HG2' ' A' ' 75' ' ' LYS . 22.5 pt -128.47 -179.32 2.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.985 -176.162 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -92.07 168.77 11.14 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.668 174.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' A' ' 66' ' ' GLY . 0.1 OUTLIER -85.62 132.44 34.17 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.477 ' N ' ' HD2' ' A' ' 65' ' ' LYS . . . 114.38 36.64 1.3 Allowed Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 -173.323 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.452 ' HB2' HD12 ' A' ' 63' ' ' ILE . . . -87.16 145.83 26.26 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.421 0.629 . . . . 0.0 112.181 -171.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.466 ' H ' ' HB3' ' A' ' 71' ' ' GLU . 57.8 p -126.81 -174.04 3.04 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.427 175.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -63.59 -25.44 68.23 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.315 0.578 . . . . 0.0 109.682 174.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -71.33 -52.9 16.23 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.404 176.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.466 ' HB3' ' H ' ' A' ' 68' ' ' SER . 5.1 tp10 -58.94 -47.98 83.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.697 -177.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.448 HG11 ' HG3' ' A' ' 38' ' ' PRO . 64.5 t -60.49 -43.51 94.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.767 0.318 . . . . 0.0 110.553 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -68.71 -37.77 79.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.108 0.48 . . . . 0.0 110.066 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -56.7 -53.8 53.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.754 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.789 ' HG2' HG22 ' A' ' 63' ' ' ILE . 14.1 mptt -65.83 -39.51 90.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.439 -179.17 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.436 HD23 HG21 ' A' ' 61' ' ' ILE . 69.4 mt -64.19 -42.74 96.52 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.63 0.253 . . . . 0.0 110.752 177.48 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -64.44 -47.28 79.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.62 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -57.93 -35.77 71.55 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.945 -179.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.5 t -94.1 -1.39 54.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.171 -179.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.5 t30 55.96 37.53 28.96 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.37 0.605 . . . . 0.0 110.128 -177.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.5 3.37 21.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.021 -176.067 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.5 m -59.14 -31.48 69.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.085 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 87' ' ' GLU . 32.2 tt0 -54.47 -51.02 66.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.366 -179.191 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -63.32 -32.45 73.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.593 -175.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 13.5 tpt -76.2 -26.72 56.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.132 0.492 . . . . 0.0 110.308 -178.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -98.6 -0.65 42.67 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.78 -178.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -87.96 162.34 16.92 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.728 -174.559 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt . . . . . 0 N--CA 1.455 -0.195 0 C-N-CA 123.801 0.84 . . . . 0.0 110.883 -176.777 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.8 mm . . . . . 0 CA--C 1.527 0.082 0 CA-C-O 121.401 0.62 . . . . 0.0 110.106 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -152.13 169.51 22.24 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 -178.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.557 HG11 ' HA ' ' A' ' 65' ' ' LYS . 34.3 m -54.77 145.59 4.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.475 0.655 . . . . 0.0 112.163 -176.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.444 ' HA2' HG12 ' A' ' 63' ' ' ILE . . . 99.63 -23.2 37.11 Favored Glycine 0 N--CA 1.443 -0.856 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.915 175.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -100.37 138.88 36.84 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 117.414 0.607 . . . . 0.0 110.091 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.471 HG13 HG22 ' A' ' 23' ' ' VAL . 4.1 mp -86.42 142.32 13.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.243 -177.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 56' ' ' PRO . 7.5 p -126.61 144.88 50.76 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.99 0.424 . . . . 0.0 110.147 176.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -116.76 138.53 47.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.434 0.635 . . . . 0.0 110.775 -179.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -72.26 138.53 47.52 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.452 -179.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.8 m . . . . . 0 C--N 1.325 -0.474 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.847 -179.685 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.647 0 N-CA-C 112.063 -0.415 . . . . 0.0 112.063 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.506 ' HB3' HG13 ' A' ' 44' ' ' VAL . 37.9 m -86.46 96.84 10.18 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.096 0.474 . . . . 0.0 110.834 -177.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm -81.54 128.76 34.25 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.186 176.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.461 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 18.2 m -116.72 148.24 41.27 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.811 0.339 . . . . 0.0 110.734 -175.096 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.471 HG22 HG13 ' A' ' 9' ' ' ILE . 47.7 t -106.19 130.0 58.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.168 177.48 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.444 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 46.2 mt -73.53 117.31 17.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 176.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.401 ' CG1' HG21 ' A' ' 72' ' ' VAL . 35.9 m -119.36 -22.01 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -175.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.536 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 27.0 t70 -155.41 139.08 16.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.821 0.343 . . . . 0.0 111.302 -176.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.3 mp -116.45 112.29 38.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.843 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.435 ' N ' HD12 ' A' ' 28' ' ' ILE . 4.0 mp -85.73 -57.63 4.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.715 -175.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.49 ' CG ' ' H ' ' A' ' 30' ' ' ASP . 11.7 t70 -128.97 -161.35 1.1 Allowed 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 -176.252 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.49 ' H ' ' CG ' ' A' ' 29' ' ' ASP . 38.5 t70 -83.28 -28.49 29.08 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.284 0.564 . . . . 0.0 110.009 -178.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.473 ' O ' ' HA ' ' A' ' 50' ' ' ASN . 14.5 m120 -108.51 -31.55 7.75 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.421 176.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -92.24 120.4 32.77 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.049 -172.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.24 164.56 34.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.019 -178.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.536 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . 62.0 tp -117.01 116.93 28.32 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.06 0.457 . . . . 0.0 110.286 178.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.461 ' HB ' ' HB3' ' A' ' 22' ' ' CYS . 22.7 m -121.1 146.41 26.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.681 176.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.1 t -138.64 143.93 39.46 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.133 0.492 . . . . 0.0 110.795 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.517 ' HA3' ' HB ' ' A' ' 44' ' ' VAL . . . -113.11 103.8 1.45 Allowed Glycine 0 N--CA 1.442 -0.951 0 N-CA-C 110.134 -1.186 . . . . 0.0 110.134 172.258 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -26.44 112.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 125.26 3.973 . . . . 0.0 114.256 -171.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.499 ' HA ' ' HA2' ' A' ' 43' ' ' GLY . 15.5 ptpt -66.28 -23.33 66.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.815 -177.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -77.3 -29.27 53.62 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.781 -179.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.404 HD13 HG23 ' A' ' 82' ' ' THR . 59.9 mt -105.82 -74.79 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.395 -177.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.8 m -83.37 -46.15 12.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.522 -173.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.499 ' HA2' ' HA ' ' A' ' 39' ' ' LYS . . . 80.51 58.66 2.67 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.356 -0.926 . . . . 0.0 111.787 -177.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.517 ' HB ' ' HA3' ' A' ' 37' ' ' GLY . 90.6 t -91.53 138.19 20.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 179.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -62.61 97.59 0.1 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.428 HH12 ' HB2' ' A' ' 69' ' ' ASP . 10.0 ptm180 -84.1 144.55 28.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.489 -176.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.418 HH11 HG12 ' A' ' 49' ' ' VAL . 45.1 ttt-85 -172.54 151.33 2.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.46 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.42 ' HG3' HD13 ' A' ' 34' ' ' LEU . 97.9 mtt180 -72.04 116.75 12.82 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 171.137 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.418 HG12 HH11 ' A' ' 47' ' ' ARG . 31.5 m -128.47 -178.97 2.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 120.89 0.376 . . . . 0.0 111.173 -174.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.473 ' HA ' ' O ' ' A' ' 31' ' ' ASN . 21.4 p-10 -105.56 145.46 30.92 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.243 177.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.9 tt -76.99 87.29 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.968 0.89 . . . . 0.0 109.891 177.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.3 tp -118.78 -57.73 2.02 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.571 -178.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -124.29 62.93 1.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.306 0.574 . . . . 0.0 111.482 -174.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.1 pp -150.17 147.44 27.73 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.04 173.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -126.12 142.3 42.17 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-O 120.888 0.375 . . . . 0.0 110.007 176.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.451 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 73.8 Cg_endo -75.58 145.81 29.94 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.739 2.293 . . . . 0.0 113.228 -175.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.3 m -86.81 160.08 18.89 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.557 177.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -62.12 -44.25 97.06 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -175.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.418 ' N ' ' HD2' ' A' ' 59' ' ' LYS . 2.6 mptp? -76.39 155.82 33.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.252 0.549 . . . . 0.0 111.632 -170.14 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.485 ' HE2' ' HA ' ' A' ' 62' ' ' ASP . 85.9 tttt -137.91 126.98 24.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.479 178.038 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.4 pt -79.34 -20.87 12.48 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.309 0 CA-C-O 121.342 0.592 . . . . 0.0 110.555 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.485 ' HA ' ' HE2' ' A' ' 60' ' ' LYS . 21.5 t70 66.36 97.79 0.05 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 113.995 -1.457 . . . . 0.0 112.223 175.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.685 HG22 ' HG3' ' A' ' 75' ' ' LYS . 37.0 pt -129.51 170.93 17.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 114.745 -1.116 . . . . 0.0 108.431 174.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -91.77 154.99 18.57 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.231 0.539 . . . . 0.0 110.57 179.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.557 ' HA ' HG11 ' A' ' 6' ' ' VAL . 20.7 ttpt -71.28 103.3 2.8 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.975 -172.331 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.38 48.02 0.62 Allowed Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.498 -176.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -95.4 -173.96 3.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.882 0.373 . . . . 0.0 111.161 -176.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.495 ' O ' HG23 ' A' ' 72' ' ' VAL . 6.7 m -115.65 153.98 30.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.227 -179.456 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.428 ' HB2' HH12 ' A' ' 46' ' ' ARG . 14.8 t70 -59.55 -43.17 93.63 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.302 0.572 . . . . 0.0 109.941 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -53.25 -51.16 63.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.793 174.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -63.52 -38.71 92.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.588 -1.187 . . . . 0.0 111.073 -176.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 68' ' ' SER . 87.3 t -62.02 -41.54 91.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.564 177.317 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt -64.43 -38.96 92.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.836 178.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.427 ' O ' ' HG3' ' A' ' 78' ' ' GLU . 93.4 mttt -67.08 -36.89 82.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.845 177.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.685 ' HG3' HG22 ' A' ' 63' ' ' ILE . 60.0 mmtt -64.15 -31.15 72.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.77 0.319 . . . . 0.0 111.102 174.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 92.9 mt -68.86 -38.78 79.96 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 173.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -64.86 -47.86 76.37 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.248 177.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 66.5 mt-10 -61.4 -34.5 75.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.392 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.0 t -88.76 -3.7 58.7 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.065 179.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 59.17 30.79 20.63 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.508 0.671 . . . . 0.0 110.55 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.4 tp -94.9 12.74 27.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.52 -174.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.404 HG23 HD13 ' A' ' 41' ' ' ILE . 15.9 m -55.77 -47.92 76.2 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.175 -176.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -62.55 -48.73 78.22 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 121.236 0.541 . . . . 0.0 111.025 -177.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -63.56 -22.83 67.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.205 -176.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.88 -24.93 35.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.742 0.306 . . . . 0.0 110.619 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -71.01 -35.85 72.21 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-O 121.047 0.451 . . . . 0.0 110.812 178.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -61.76 127.31 30.81 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.505 -0.77 . . . . 0.0 112.072 -174.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt . . . . . 0 C--N 1.321 -0.661 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.216 -178.154 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.3 mp . . . . . 0 N--CA 1.463 0.21 0 CA-C-O 121.646 0.736 . . . . 0.0 110.505 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.414 ' HG2' ' HB2' ' A' ' 8' ' ' ARG . 14.4 pt-20 -144.1 170.41 16.0 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.833 -178.281 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.9 m -80.48 114.18 21.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.574 0.702 . . . . 0.0 110.003 175.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.19 7.96 32.0 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.28 -177.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.414 ' HB2' ' HG2' ' A' ' 5' ' ' GLU . 13.4 tpt180 -84.19 103.01 13.04 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 177.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.538 HG12 HG22 ' A' ' 23' ' ' VAL . 55.4 mt -71.27 117.82 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.287 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.441 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . 44.6 m -115.75 142.51 46.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.736 -176.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.7 p -90.41 149.35 4.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.411 -178.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.492 ' HB2' ' O ' ' A' ' 20' ' ' SER . 1.9 tppp? -84.97 54.46 3.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.57 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 115.604 -0.726 . . . . 0.0 112.031 -172.912 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.469 ' CA ' ' HB2' ' A' ' 88' ' ' LYS . . . . . . . . 0 N--CA 1.445 -0.734 0 N-CA-C 112.696 -0.162 . . . . 0.0 112.696 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.492 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 3.4 p -76.66 90.4 3.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.429 0.633 . . . . 0.0 111.2 -179.107 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -80.08 149.09 30.77 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.123 179.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.453 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 57.9 m -133.06 147.32 52.19 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.0 0.429 . . . . 0.0 109.945 -179.49 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.538 HG22 HG12 ' A' ' 9' ' ' ILE . 46.7 t -110.01 129.5 64.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.639 -179.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.575 ' HA ' HG12 ' A' ' 35' ' ' VAL . 57.6 mt -68.46 103.44 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 174.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.439 HG21 HG22 ' A' ' 36' ' ' THR . 92.4 t -104.16 -34.8 3.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.346 -173.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.516 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 3.7 t70 -142.79 165.3 27.77 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.886 0.374 . . . . 0.0 110.257 -178.391 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.2 mm -124.36 110.86 26.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.109 -174.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.455 HG21 ' NH2' ' A' ' 48' ' ' ARG . 43.7 mm -80.72 -59.03 3.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 177.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.523 ' OD2' ' HB2' ' A' ' 32' ' ' PHE . 3.7 p30 -137.99 -167.24 2.11 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 170.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -82.32 -11.57 58.52 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.786 0.327 . . . . 0.0 111.775 -171.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -115.76 -49.06 2.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.934 0.397 . . . . 0.0 110.399 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.523 ' HB2' ' OD2' ' A' ' 29' ' ' ASP . 36.2 m-85 -88.3 113.06 23.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.947 176.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.0 m -108.94 164.23 5.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 -178.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.516 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . 52.5 tp -103.17 114.5 28.84 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.575 HG12 ' HA ' ' A' ' 24' ' ' ILE . 27.0 m -120.0 147.73 23.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.334 178.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.439 HG22 HG21 ' A' ' 25' ' ' VAL . 9.0 t -140.95 140.3 34.4 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.147 0.499 . . . . 0.0 110.821 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.553 ' HA3' ' HB ' ' A' ' 44' ' ' VAL . . . -101.56 110.75 3.92 Favored Glycine 0 N--CA 1.439 -1.106 0 N-CA-C 110.071 -1.212 . . . . 0.0 110.071 171.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.649 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 61.3 Cg_exo -37.29 123.08 0.44 Allowed 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 123.956 3.104 . . . . 0.0 113.042 -175.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.645 ' HA ' ' HA2' ' A' ' 43' ' ' GLY . 21.8 ptmt -58.44 -26.67 63.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.438 -171.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -89.99 -44.46 9.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.213 0.53 . . . . 0.0 110.598 178.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.649 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 72.2 mt -70.87 -53.38 22.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.721 -173.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.0 p -124.19 -38.06 2.49 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.894 0.378 . . . . 0.0 111.644 -177.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.645 ' HA2' ' HA ' ' A' ' 39' ' ' LYS . . . 77.36 40.84 22.58 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.897 177.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.553 ' HB ' ' HA3' ' A' ' 37' ' ' GLY . 23.3 t -90.34 -23.12 6.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.004 0.431 . . . . 0.0 110.345 179.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 36' ' ' THR . 56.5 mttp 69.35 -178.66 0.22 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.982 -179.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 46' ' ' ARG . 8.6 ptp85 -98.17 144.68 27.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.906 -177.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -173.5 166.09 4.65 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.034 176.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.455 ' NH2' HG21 ' A' ' 28' ' ' ILE . 60.6 mtt180 -82.23 118.96 23.5 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 176.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 45.2 t -123.44 -5.58 7.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.635 0.731 . . . . 0.0 110.044 -178.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 59.32 178.09 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.629 -1.169 . . . . 0.0 111.306 -176.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.1 pt -96.6 15.48 2.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.322 0.582 . . . . 0.0 110.423 175.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.8 mp -95.31 -9.09 34.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.325 -176.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -122.2 5.97 9.72 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.683 178.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.441 ' HB3' ' CB ' ' A' ' 10' ' ' CYS . 92.8 mt -120.24 132.85 55.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.192 0.52 . . . . 0.0 111.061 -175.023 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -122.7 118.76 28.36 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 175.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -66.03 134.16 35.96 Favored 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.588 2.192 . . . . 0.0 112.512 -178.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 81.6 p -88.24 -171.03 3.2 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.892 0.377 . . . . 0.0 110.492 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -88.19 -3.86 58.81 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.487 177.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.556 ' HB3' HD21 ' A' ' 81' ' ' LEU . 14.0 mptt -103.01 140.15 37.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.648 174.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.42 ' HE2' ' HB2' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -147.86 156.94 43.25 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.112 179.712 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.666 HG21 HD12 ' A' ' 76' ' ' LEU . 32.4 pt -116.68 172.15 4.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.691 0.282 . . . . 0.0 110.734 177.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -117.5 95.15 4.82 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.545 -176.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.6 pt -132.4 170.73 19.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.781 0.324 . . . . 0.0 110.989 -179.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.401 ' HG2' ' N ' ' A' ' 65' ' ' LYS . 48.0 tt0 -97.41 160.13 14.51 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.138 178.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.401 ' N ' ' HG2' ' A' ' 64' ' ' GLN . 53.6 tttm -65.94 105.1 1.24 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.058 176.008 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 107.25 61.91 0.57 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.154 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.439 ' H ' ' CG1' ' A' ' 25' ' ' VAL . . . -114.5 154.87 27.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.72 0.295 . . . . 0.0 110.827 179.612 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 32.4 m -105.15 -178.43 3.65 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.412 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -52.18 -51.99 54.74 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.865 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -60.91 -37.58 82.76 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -178.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -69.02 -47.64 64.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.907 0.384 . . . . 0.0 110.048 -178.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 94.8 t -61.86 -45.63 98.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.052 176.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.44 ' HB2' ' HE3' ' A' ' 73' ' ' LYS . 34.7 ttmt -55.83 -45.4 78.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.999 178.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.459 ' O ' ' HG2' ' A' ' 78' ' ' GLU . 13.4 mptt -63.28 -47.34 82.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.409 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.464 ' HD3' ' HA ' ' A' ' 75' ' ' LYS . 28.1 mmtp -68.68 -29.87 68.42 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.809 0.299 . . . . 0.0 111.809 -179.001 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.666 HD12 HG21 ' A' ' 61' ' ' ILE . 5.1 mp -64.82 -43.67 92.37 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 171.269 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -64.03 -44.94 91.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.456 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 16.3 mm-40 -52.99 -41.88 65.02 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.507 177.177 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.3 m -90.39 -5.57 55.99 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.401 -176.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 14.8 m120 60.13 33.08 21.15 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.349 0.595 . . . . 0.0 110.279 -175.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.556 HD21 ' HB3' ' A' ' 59' ' ' LYS . 30.6 tp -103.73 1.6 31.98 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.867 -174.236 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.616 ' HA ' HD23 ' A' ' 76' ' ' LEU . 10.7 m -54.03 -42.16 68.85 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.701 -178.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -58.1 -51.8 68.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.455 -177.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -64.77 -23.26 67.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.223 -176.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -88.9 -41.59 12.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.368 -179.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 54.9 tttp -68.68 -46.97 67.68 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 123.291 0.369 . . . . 0.0 111.83 -175.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -74.59 123.78 25.46 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.469 ' HB2' ' CA ' ' A' ' 19' ' ' GLY . 65.7 pttt . . . . . 0 C--N 1.327 -0.392 0 CA-C-O 121.106 0.479 . . . . 0.0 111.461 -174.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.0 mtp . . . . . 0 N--CA 1.484 1.245 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.01 103.93 0.18 Allowed 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.921 2.414 . . . . 0.0 112.732 -177.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -164.4 112.01 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.153 -0.93 . . . . 0.0 108.536 178.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.432 HG22 ' O ' ' A' ' 4' ' ' ILE . 38.9 mm 57.16 45.57 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 122.642 1.211 . . . . 0.0 108.423 -168.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -161.74 173.45 14.62 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.0 -1.455 . . . . 0.0 108.217 -176.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.572 HG11 ' HA ' ' A' ' 65' ' ' LYS . 34.7 m -55.43 148.03 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.18 0.514 . . . . 0.0 111.86 -178.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.26 -35.13 4.32 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.967 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.42 ' HD2' ' HA ' ' A' ' 8' ' ' ARG . 6.7 tpt180 -83.05 124.8 30.78 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.794 0.331 . . . . 0.0 110.743 -177.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.504 HD11 HG23 ' A' ' 61' ' ' ILE . 56.7 mt -86.06 142.97 12.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.665 -178.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.54 ' HA ' ' HA ' ' A' ' 56' ' ' PRO . 8.7 p -128.41 163.15 25.5 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.082 178.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.8 p -145.98 151.49 14.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.61 -176.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.488 ' HD2' ' HB2' ' A' ' 20' ' ' SER . 91.0 mttt -66.02 100.48 0.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 174.104 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.34 -37.97 81.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.212 -178.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.625 ' HD2' ' HE1' ' A' ' 53' ' ' HIS . 61.1 mttp -142.13 143.6 33.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.0 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 145.06 -51.0 0.62 Allowed Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 -178.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -157.34 55.69 0.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 173.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.495 ' HG2' ' HE3' ' A' ' 90' ' ' LYS . 1.6 mp0 66.54 -83.39 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 114.49 -1.232 . . . . 0.0 112.08 -179.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -162.91 36.01 0.1 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.078 0.466 . . . . 0.0 110.912 -176.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -86.06 25.92 6.53 Favored Glycine 0 CA--C 1.521 0.433 0 C-N-CA 120.57 -0.824 . . . . 0.0 114.008 -175.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.488 ' HB2' ' HD2' ' A' ' 12' ' ' LYS . 32.2 m -156.73 124.01 5.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 117.424 0.612 . . . . 0.0 110.909 177.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -122.14 137.3 54.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.767 177.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 57.3 m -144.15 160.67 40.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.938 0.399 . . . . 0.0 111.339 -174.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.404 HG21 HD11 ' A' ' 61' ' ' ILE . 12.0 p -129.29 147.54 33.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.117 175.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.54 HG12 HG12 ' A' ' 35' ' ' VAL . 62.9 mt -83.72 129.92 36.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.2 p -113.6 -35.43 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.699 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -132.59 131.44 41.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.146 0.498 . . . . 0.0 110.836 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.41 ' N ' HD12 ' A' ' 27' ' ' ILE . 4.1 mp -106.54 123.08 61.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.293 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.416 ' N ' HD12 ' A' ' 28' ' ' ILE . 3.8 mp -92.38 -43.5 13.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 177.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -160.5 -163.62 1.11 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.435 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.07 -32.28 72.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.784 0.326 . . . . 0.0 111.435 -179.274 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -101.85 -45.98 5.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.974 178.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -77.82 107.86 10.64 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.122 -174.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.7 m -132.3 150.81 33.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.996 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 tp -105.57 116.5 32.04 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.204 177.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.54 HG12 HG12 ' A' ' 24' ' ' ILE . 27.0 m -106.81 144.18 16.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.173 178.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.6 t -151.37 176.44 11.26 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.321 -177.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.483 ' HA3' ' HB ' ' A' ' 44' ' ' VAL . . . -146.51 179.02 23.8 Favored Glycine 0 N--CA 1.443 -0.834 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 176.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.81 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 23.4 Cg_exo -63.65 114.28 2.49 Favored 'Trans proline' 0 C--O 1.238 0.5 0 C-N-CA 122.576 2.184 . . . . 0.0 111.641 179.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -59.34 -59.57 5.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.01 -175.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -81.0 -15.32 56.54 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.884 -173.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.81 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 67.6 mt -88.58 -60.45 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.327 -176.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.559 ' HB ' HG23 ' A' ' 44' ' ' VAL . 4.8 m -106.65 -30.62 8.88 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.984 0.421 . . . . 0.0 111.466 -175.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.23 51.41 5.0 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.385 -175.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.559 HG23 ' HB ' ' A' ' 42' ' ' THR . 57.8 t -93.47 115.34 32.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.97 0.414 . . . . 0.0 110.454 -179.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -68.88 127.74 34.2 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.427 178.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -78.75 142.89 36.66 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.1 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -148.31 144.67 27.74 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.171 0.51 . . . . 0.0 110.882 178.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -102.02 115.47 30.61 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.773 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.4 m -125.61 169.34 17.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.445 -176.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -103.01 28.79 5.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.954 176.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 61.3 mt 56.16 82.03 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.592 -173.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 60.0 tp -83.97 -55.12 4.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.98 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.625 ' HE1' ' HD2' ' A' ' 14' ' ' LYS . 9.7 t-160 -158.31 74.51 0.7 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 177.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 54.0 tp -136.7 126.75 26.06 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.305 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.459 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 34.8 mt-10 -124.88 130.47 24.22 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-O 120.626 0.25 . . . . 0.0 110.513 -176.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.54 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 12.4 Cg_exo -70.53 152.72 65.53 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.842 2.361 . . . . 0.0 112.643 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 59' ' ' LYS . 11.3 t -99.48 -167.56 1.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.907 179.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -84.66 -26.03 28.07 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.808 -175.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.412 ' H ' HG23 ' A' ' 57' ' ' THR . 67.9 mttm -77.15 149.26 35.63 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.467 0.651 . . . . 0.0 112.096 -172.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.463 ' HE2' ' HB3' ' A' ' 60' ' ' LYS . 15.8 ttpt -141.15 140.16 34.03 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.046 -177.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.504 HG23 HD11 ' A' ' 9' ' ' ILE . 27.1 pt -100.52 160.53 3.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 175.295 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -97.71 89.96 4.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.8 0.333 . . . . 0.0 110.639 -175.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 45.7 pt -141.57 173.09 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.172 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -108.51 175.35 5.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.262 177.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.572 ' HA ' HG11 ' A' ' 6' ' ' VAL . 29.7 ttpt -83.52 115.36 22.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.12 0.486 . . . . 0.0 110.677 -178.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 108.98 52.76 0.64 Allowed Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -176.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -104.66 178.96 4.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.243 0.544 . . . . 0.0 111.309 -175.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.536 ' H ' ' HB3' ' A' ' 71' ' ' GLU . 78.0 p -129.8 174.38 9.78 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.804 178.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -59.79 -39.23 84.23 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.953 173.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -58.34 -52.46 65.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.52 176.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.536 ' HB3' ' H ' ' A' ' 68' ' ' SER . 36.9 tp10 -54.99 -55.1 34.65 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.735 -1.12 . . . . 0.0 111.191 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 98.4 t -59.86 -43.4 91.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.012 -177.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -60.94 -44.64 96.96 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -178.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -70.19 -44.63 68.32 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.362 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 75' ' ' LYS . 30.0 mmtp -70.17 -31.61 69.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.877 0.37 . . . . 0.0 111.195 -178.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 29.7 tp -70.58 -40.59 73.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.74 175.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -58.19 -50.96 71.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.448 178.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -58.28 -40.77 82.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.403 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.3 m -77.94 -2.9 39.17 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.646 -177.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 63.9 18.85 11.44 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.53 0.681 . . . . 0.0 111.342 176.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 28.2 tp -96.57 5.89 49.85 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.324 0.583 . . . . 0.0 110.226 -176.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.4 t -62.2 -43.27 99.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.773 -177.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -65.04 -40.93 95.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.723 -176.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -63.04 -36.81 84.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.779 177.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 10.2 tpt -78.33 -26.1 46.71 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.112 0.482 . . . . 0.0 110.274 -178.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 44.0 tttp -79.16 -25.71 42.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.592 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -48.34 120.6 3.73 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.416 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -112.68 130.9 55.89 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.787 -177.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.618 HG22 ' HD3' ' A' ' 90' ' ' LYS . 3.6 mp -128.63 145.43 35.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 -178.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.618 ' HD3' HG22 ' A' ' 89' ' ' ILE . 6.1 mptp? 59.11 34.97 23.6 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.272 0.558 . . . . 0.0 111.556 178.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.432 ' O ' HG12 ' A' ' 91' ' ' ILE . 15.2 tt -91.55 33.47 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 122.313 1.054 . . . . 0.0 109.539 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 35.2 ttt180 -81.6 136.3 35.55 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.807 -176.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.465 ' HB2' HD23 ' A' ' 96' ' ' LEU . 62.3 mtt -79.12 145.41 65.03 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.288 177.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -58.64 -37.34 94.79 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.006 2.47 . . . . 0.0 112.248 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.8 t -130.37 133.13 46.17 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.323 179.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.465 HD23 ' HB2' ' A' ' 93' ' ' MET . 1.9 pp . . . . . 0 C--O 1.247 0.974 0 CA-C-O 118.663 -0.684 . . . . 0.0 110.235 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.659 ' HB2' ' HG2' ' A' ' 5' ' ' GLU . 25.0 mmt . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -63.71 153.95 72.2 Favored 'Trans proline' 0 C--O 1.237 0.426 0 C-N-CA 122.499 2.133 . . . . 0.0 111.564 175.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 71.57 -164.35 0.13 Allowed 'General case' 0 N--CA 1.455 -0.216 0 O-C-N 124.023 0.827 . . . . 0.0 111.257 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.538 HG23 HD13 ' A' ' 24' ' ' ILE . 47.2 mm -87.98 112.45 23.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.166 -0.924 . . . . 0.0 110.899 -177.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.659 ' HG2' ' HB2' ' A' ' 1' ' ' MET . 0.0 OUTLIER -140.43 175.2 9.8 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.08 177.356 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 42.9 t -69.93 127.95 32.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.361 -174.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.87 6.67 63.38 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.571 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.653 ' HB3' HD12 ' A' ' 24' ' ' ILE . 3.4 tpt180 -76.55 133.21 39.77 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.886 0.374 . . . . 0.0 110.722 -179.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.429 HG12 ' HA ' ' A' ' 60' ' ' LYS . 50.4 mm -83.98 114.14 24.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 173.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.9 p -116.27 140.49 49.26 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.379 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.8 p -99.6 146.98 7.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.345 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.498 ' HE3' ' HB2' ' A' ' 20' ' ' SER . 9.5 ptpt -76.99 85.74 3.51 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.082 176.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.9 t -60.21 -57.01 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.3 tttm 54.72 -83.44 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 O-C-N 124.099 0.874 . . . . 0.0 111.874 177.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -162.27 -78.41 0.03 OUTLIER Glycine 0 N--CA 1.443 -0.892 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 -178.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.631 ' HA ' ' HE ' ' A' ' 16' ' ' ARG . 2.2 mmp_? -115.94 -10.58 11.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.775 0.322 . . . . 0.0 111.11 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -113.72 114.46 26.4 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.418 ' HA ' ' O ' ' A' ' 12' ' ' LYS . . . -138.85 32.76 2.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.822 -175.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.551 ' HA2' ' HB ' ' A' ' 89' ' ' ILE . . . -90.69 36.62 3.55 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.687 -0.768 . . . . 0.0 113.541 -172.282 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.498 ' HB2' ' HE3' ' A' ' 12' ' ' LYS . 14.6 m -154.3 152.7 30.58 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 122.345 -0.503 . . . . 0.0 110.552 178.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.2 mptt -119.09 146.44 45.09 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 173.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.406 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 51.8 m -122.79 146.31 47.64 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.925 0.393 . . . . 0.0 110.254 178.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.2 t -108.29 125.78 65.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.122 -179.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.653 HD12 ' HB3' ' A' ' 8' ' ' ARG . 47.3 mt -78.51 96.71 2.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.7 m -98.05 -25.5 4.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -173.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.538 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 25.3 t70 -142.39 134.63 27.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.996 0.426 . . . . 0.0 111.093 -177.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.435 ' H ' ' HD2' ' A' ' 65' ' ' LYS . 35.0 mm -100.24 113.35 35.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.492 177.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 62.9 mt -90.02 -53.86 8.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.091 0.472 . . . . 0.0 110.483 -177.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.479 ' CG ' ' H ' ' A' ' 30' ' ' ASP . 14.4 t70 -133.33 -151.2 0.44 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.479 ' H ' ' CG ' ' A' ' 29' ' ' ASP . 37.2 t70 -74.51 -53.53 9.29 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.751 0.31 . . . . 0.0 111.011 -177.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -107.38 -27.75 10.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.805 175.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.473 ' HB2' ' HB3' ' A' ' 29' ' ' ASP . 67.6 m-85 -70.76 105.07 3.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.527 178.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.2 m -122.35 162.69 21.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.847 0.356 . . . . 0.0 110.441 178.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.538 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . 6.4 tt -103.95 116.63 32.6 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 177.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.406 ' HB ' ' HB3' ' A' ' 22' ' ' CYS . 30.2 m -113.65 151.15 15.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.524 -178.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.453 ' HB ' ' HB3' ' A' ' 46' ' ' ARG . 15.3 t -161.95 170.77 18.78 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.798 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -125.49 159.43 20.01 Favored Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 173.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.464 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 51.8 Cg_exo -53.16 122.07 10.52 Favored 'Trans proline' 0 C--O 1.237 0.442 0 C-N-CA 122.469 2.113 . . . . 0.0 111.434 178.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -65.66 -29.27 69.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.977 0.418 . . . . 0.0 110.879 -174.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.87 ' HB3' ' HE2' ' A' ' 73' ' ' LYS . 39.0 t70 -93.61 5.68 50.79 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.013 -175.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.623 HG13 ' HD3' ' A' ' 73' ' ' LYS . 65.1 mt -129.17 -79.39 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.036 0.446 . . . . 0.0 111.182 178.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.92 -40.08 61.06 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.468 -172.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.97 36.41 28.29 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.469 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.3 t -95.35 120.49 44.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 178.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.9 pttt -67.8 141.98 56.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.168 0.509 . . . . 0.0 111.45 -178.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.453 ' HB3' ' HB ' ' A' ' 36' ' ' THR . 10.6 ptm180 -82.36 131.01 35.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.269 -177.364 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -159.37 169.95 22.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.235 177.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -90.42 133.16 35.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.039 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.46 HG12 ' H ' ' A' ' 51' ' ' ILE . 41.9 t -136.77 147.4 27.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 178.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -98.14 24.88 6.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.705 0.288 . . . . 0.0 111.453 -177.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.513 ' HA ' HD23 ' A' ' 54' ' ' LEU . 17.3 mm 60.49 27.23 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 CA-C-O 121.791 0.805 . . . . 0.0 110.515 -179.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.5 tp -42.58 -46.15 4.82 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 114.698 -1.137 . . . . 0.0 112.702 -178.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.69 44.68 1.1 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.232 0.539 . . . . 0.0 110.465 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.513 HD23 ' HA ' ' A' ' 51' ' ' ILE . 3.4 mm? -109.72 159.26 17.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.715 179.002 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -151.91 130.69 6.41 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-O 120.532 0.206 . . . . 0.0 110.607 178.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -67.08 123.29 10.75 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.789 2.326 . . . . 0.0 111.73 176.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.1 p -134.63 143.94 47.58 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.713 -176.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 t70 63.45 -158.14 0.32 Allowed 'General case' 0 C--O 1.236 0.393 0 O-C-N 124.013 0.82 . . . . 0.0 110.799 172.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -78.41 147.97 33.83 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.067 0.46 . . . . 0.0 110.961 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.537 ' HE3' ' OE1' ' A' ' 5' ' ' GLU . 0.0 OUTLIER -118.05 157.39 26.91 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.09 -179.414 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 22.3 pt -86.97 124.11 40.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.144 0.497 . . . . 0.0 110.397 178.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -84.13 90.52 7.5 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.035 0.445 . . . . 0.0 110.376 -176.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 36.1 pt -127.14 173.9 11.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.829 -177.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -99.26 154.04 18.48 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.628 177.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.435 ' HD2' ' H ' ' A' ' 27' ' ' ILE . 39.0 ttpt -69.38 115.56 8.79 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 119.92 34.01 1.02 Allowed Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.528 -0.629 . . . . 0.0 111.528 -176.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.95 149.68 25.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.73 0.3 . . . . 0.0 110.609 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.405 ' O ' HG23 ' A' ' 72' ' ' VAL . 21.4 m -95.62 158.84 15.27 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.714 -178.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -58.44 -39.53 80.11 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.128 0.489 . . . . 0.0 110.872 -179.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -63.34 -51.72 64.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.93 175.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 62.2 tt0 -56.1 -46.78 78.96 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.876 -1.057 . . . . 0.0 111.573 -177.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 68' ' ' SER . 94.7 t -59.8 -48.04 89.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.646 0.26 . . . . 0.0 111.025 179.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.87 ' HE2' ' HB3' ' A' ' 40' ' ' ASP . 9.2 mtmp? -70.25 -27.0 64.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.839 0.352 . . . . 0.0 111.085 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -63.64 -42.15 98.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.514 0.673 . . . . 0.0 109.301 174.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.827 ' HE2' ' HA ' ' A' ' 75' ' ' LYS . 9.9 mmpt? -67.14 -41.14 86.62 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.433 176.068 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.3 mt -64.63 -27.51 68.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.415 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.78 -50.87 31.19 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 177.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -62.3 -36.09 81.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.328 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 47.1 t -83.81 -16.64 43.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.242 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 65.4 13.55 8.89 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.48 0.657 . . . . 0.0 110.774 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.4 tp -86.46 3.4 44.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.941 -174.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.6 t -57.99 -40.99 82.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.838 -178.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -64.23 -41.55 96.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.543 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -62.47 -42.74 99.69 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.008 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -43.66 76.7 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -178.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -56.18 -41.4 75.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.288 -178.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -48.65 126.93 12.69 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 123.751 0.657 . . . . 0.0 111.97 -173.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.459 ' HE3' ' HB2' ' A' ' 88' ' ' LYS . 23.1 ttmt -117.9 140.46 49.68 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.97 -175.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.551 ' HB ' ' HA2' ' A' ' 19' ' ' GLY . 26.5 mm -112.52 149.54 15.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -176.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.2 mptt 60.56 33.57 20.43 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.448 0.642 . . . . 0.0 111.097 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.7 tp -103.06 109.14 26.0 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.972 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.24 118.23 32.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.913 179.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 59.8 mtt -128.74 109.97 18.77 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.016 178.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.94 93.7 0.33 Allowed 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 122.31 2.006 . . . . 0.0 111.283 176.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 13.7 t -152.65 154.96 36.37 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.002 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.4 tt . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.212 -0.899 . . . . 0.0 108.791 -178.889 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.8 ttm . . . . . 0 N--CA 1.481 1.125 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -53.77 109.99 0.44 Allowed 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.841 2.36 . . . . 0.0 112.371 176.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -173.52 86.25 0.05 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.891 -178.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.742 HG13 HD13 ' A' ' 51' ' ' ILE . 48.6 mm 65.87 91.92 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 121.693 0.759 . . . . 0.0 110.923 -178.283 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.543 ' HB2' ' HB2' ' A' ' 8' ' ' ARG . 11.5 mp0 -98.64 139.0 35.01 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.139 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.7 m -64.37 120.51 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.13 0.49 . . . . 0.0 110.065 174.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.81 -10.13 62.26 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.061 -176.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.543 ' HB2' ' HB2' ' A' ' 5' ' ' GLU . 59.2 ttt180 -81.85 132.4 35.27 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.32 -0.518 . . . . 0.0 109.745 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.9 mm -85.61 129.79 37.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.896 -171.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.5 p -125.81 141.47 51.98 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.353 0.597 . . . . 0.0 111.412 -178.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.1 p -107.54 152.76 9.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.462 -0.79 . . . . 0.0 108.97 177.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.0 134.72 38.69 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.879 0.371 . . . . 0.0 110.409 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.3 p -117.25 61.08 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 122.842 1.306 . . . . 0.0 109.124 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -68.24 -29.33 68.13 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.015 -1.448 . . . . 0.0 110.639 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 162.14 -66.43 0.25 Allowed Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.269 177.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -129.99 -29.48 2.08 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.043 0.449 . . . . 0.0 110.489 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.401 ' CD ' ' H ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -114.49 -172.65 2.15 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.206 -176.753 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.401 ' H ' ' CD ' ' A' ' 17' ' ' GLU . . . 73.63 29.98 1.47 Allowed 'General case' 0 N--CA 1.463 0.219 0 O-C-N 123.951 0.782 . . . . 0.0 110.256 -179.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.78 33.78 1.89 Allowed Glycine 0 CA--C 1.519 0.298 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.694 -179.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.5 m -96.82 164.49 12.54 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 178.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -110.4 149.75 29.8 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.6 p -143.88 155.75 44.21 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.795 0.331 . . . . 0.0 110.602 177.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.3 t -111.49 133.18 57.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.415 -177.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.534 HG13 HG12 ' A' ' 35' ' ' VAL . 4.3 mp -78.37 112.27 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 174.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.0 p -99.28 -28.3 3.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -173.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -147.56 144.46 28.5 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.791 -177.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.0 mm -102.73 87.65 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.36 -178.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 54.7 mt -71.36 -46.84 62.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.376 0.608 . . . . 0.0 109.638 177.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.512 ' HB3' ' HB2' ' A' ' 32' ' ' PHE . 18.2 t70 -138.26 170.69 15.58 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.314 -0.857 . . . . 0.0 108.833 177.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -81.62 -18.83 43.34 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 120.85 0.357 . . . . 0.0 111.149 -174.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -124.74 -10.33 7.28 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.283 0.563 . . . . 0.0 110.191 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.512 ' HB2' ' HB3' ' A' ' 29' ' ' ASP . 91.2 m-85 -121.69 101.55 7.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.601 174.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.0 m -111.54 169.11 4.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.755 0.312 . . . . 0.0 111.347 -175.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -103.85 116.3 32.04 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 178.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.534 HG12 HG13 ' A' ' 24' ' ' ILE . 30.0 m -111.32 143.69 20.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.139 0.495 . . . . 0.0 110.487 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.2 t -136.97 156.28 48.65 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.773 177.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.5 176.1 18.01 Favored Glycine 0 N--CA 1.439 -1.1 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 177.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.552 ' HB2' ' H ' ' A' ' 42' ' ' THR . 38.0 Cg_exo -60.87 108.37 0.54 Allowed 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.391 2.061 . . . . 0.0 111.437 177.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -66.04 -43.93 86.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.498 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -79.96 -44.26 20.6 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.076 -178.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.447 ' HB ' ' CB ' ' A' ' 38' ' ' PRO . 68.3 mt -76.78 -60.88 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.101 -0.5 . . . . 0.0 112.036 -172.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.552 ' H ' ' HB2' ' A' ' 38' ' ' PRO . 9.9 m -91.94 -38.74 12.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.96 0.409 . . . . 0.0 111.431 -175.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.83 39.36 5.54 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.708 -176.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.503 HG23 ' HB ' ' A' ' 42' ' ' THR . 53.8 t -87.72 131.2 36.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 0.0 110.639 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -96.21 118.32 32.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.69 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.443 ' HD2' ' O ' ' A' ' 46' ' ' ARG . 4.2 ppt_? -70.66 140.39 51.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.371 0.605 . . . . 0.0 112.108 -173.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -159.99 158.39 30.51 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -82.25 133.9 35.27 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.9 m -126.05 167.46 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.133 0.492 . . . . 0.0 111.796 -173.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -107.64 132.37 53.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.417 177.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.742 HD13 HG13 ' A' ' 4' ' ' ILE . 39.7 mt -76.06 83.83 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.403 0.62 . . . . 0.0 110.366 -178.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.9 tt -119.62 -65.32 1.17 Allowed 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.268 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -109.83 49.83 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.269 0.557 . . . . 0.0 111.165 -178.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 51' ' ' ILE . 8.1 mp -109.9 130.62 55.5 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.789 177.107 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.428 ' OE2' ' HD2' ' A' ' 56' ' ' PRO . 0.5 OUTLIER -119.45 119.36 31.69 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -179.629 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.428 ' HD2' ' OE2' ' A' ' 55' ' ' GLU . 38.4 Cg_exo -62.12 133.2 42.71 Favored 'Trans proline' 0 N--CA 1.464 -0.208 0 C-N-CA 122.675 2.25 . . . . 0.0 111.693 176.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 73.2 p -87.7 -171.44 3.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -178.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -80.39 -26.55 38.48 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.956 0.408 . . . . 0.0 111.084 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -93.97 158.82 15.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.522 0.677 . . . . 0.0 112.034 -175.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -161.47 124.16 3.08 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.783 -1.098 . . . . 0.0 109.261 178.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 30.5 pt -93.63 139.15 18.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.978 0.418 . . . . 0.0 109.894 178.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -90.13 99.54 12.53 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.173 0.511 . . . . 0.0 110.648 -178.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 39.7 pt -126.63 -174.47 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.737 -178.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -104.69 165.31 11.15 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.278 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -78.2 62.63 2.95 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.528 0.68 . . . . 0.0 110.156 178.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.02 47.87 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.29 -178.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.436 ' HB1' ' HB3' ' A' ' 71' ' ' GLU . . . -120.32 120.33 35.72 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 120.726 0.298 . . . . 0.0 110.25 -178.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.0 m -91.68 -172.9 3.36 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.004 -176.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -53.56 -24.76 14.53 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.799 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.06 -51.76 35.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.591 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.436 ' HB3' ' HB1' ' A' ' 67' ' ' ALA . 46.2 tp10 -72.49 -36.59 68.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.873 -179.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 95.3 t -59.45 -37.84 71.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.005 0.431 . . . . 0.0 110.109 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.566 ' HB2' ' HZ2' ' A' ' 73' ' ' LYS . 4.4 ttmp? -64.8 -39.52 93.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.479 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -58.72 -52.07 67.27 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.15 0.5 . . . . 0.0 110.06 176.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.703 ' HE2' ' HA ' ' A' ' 75' ' ' LYS . 10.4 mmpt? -59.51 -44.45 93.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.979 -178.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.526 HD21 ' HG3' ' A' ' 85' ' ' MET . 5.5 mp -59.7 -39.21 83.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.232 178.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -65.06 -49.45 70.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.579 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -56.49 -44.68 80.92 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.407 178.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.3 m -85.01 -7.97 58.92 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.977 -176.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 58.51 37.24 25.56 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.737 0.779 . . . . 0.0 109.513 -176.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.512 ' HG ' ' HB3' ' A' ' 84' ' ' TYR . 15.1 tp -106.23 22.37 15.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.598 -171.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.5 m -59.48 -50.88 72.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.966 -176.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -59.85 -35.9 75.73 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.145 0.497 . . . . 0.0 110.865 -176.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.512 ' HB3' ' HG ' ' A' ' 81' ' ' LEU . 82.5 t80 -52.78 -39.95 62.75 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.921 -177.165 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.526 ' HG3' HD21 ' A' ' 76' ' ' LEU . 24.2 mmt -83.14 -26.59 30.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.81 0.338 . . . . 0.0 111.877 -176.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -92.3 -11.06 36.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.321 0.581 . . . . 0.0 110.206 -177.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -70.79 129.23 38.56 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.181 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -103.01 140.63 37.03 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 170.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.676 HG22 ' HD3' ' A' ' 90' ' ' LYS . 14.5 mt -82.46 129.37 37.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 -179.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.676 ' HD3' HG22 ' A' ' 89' ' ' ILE . 5.7 mptp? 62.56 -163.24 0.27 Allowed 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.153 -177.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.478 HG22 ' O ' ' A' ' 91' ' ' ILE . 48.8 mt 67.88 37.65 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-O 122.431 1.11 . . . . 0.0 110.206 176.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 95.2 mtm-85 -139.11 139.85 37.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.041 173.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.496 ' SD ' ' HD2' ' A' ' 94' ' ' PRO . 17.0 tpt -89.83 125.64 60.2 Favored Pre-proline 0 C--N 1.321 -0.658 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 -178.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.496 ' HD2' ' SD ' ' A' ' 93' ' ' MET . 16.8 Cg_endo -59.11 120.67 8.67 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.637 2.225 . . . . 0.0 111.881 176.006 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.3 t -86.6 122.52 30.63 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.469 -179.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.8 tt . . . . . 0 C--O 1.247 0.929 0 CA-C-O 118.495 -0.764 . . . . 0.0 109.775 -176.038 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.8 mtp . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -59.04 114.57 2.07 Favored 'Trans proline' 0 CA--C 1.529 0.233 0 C-N-CA 122.853 2.369 . . . . 0.0 113.17 -177.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -142.63 110.1 5.73 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.486 177.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.3 mm -102.55 76.44 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.374 0.606 . . . . 0.0 110.55 -175.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -115.27 131.19 57.01 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.064 177.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.9 m -57.57 119.11 2.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.341 0.591 . . . . 0.0 110.109 175.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.66 -16.91 10.33 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.013 -177.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.529 ' HA ' ' NE ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -90.37 103.82 16.46 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 121.127 0.489 . . . . 0.0 109.958 177.078 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.601 HG13 HG22 ' A' ' 23' ' ' VAL . 4.3 mp -68.86 118.55 13.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 173.118 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.588 ' SG ' HD23 ' A' ' 54' ' ' LEU . 3.6 p -102.22 152.09 21.45 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 120.992 0.425 . . . . 0.0 110.866 -176.211 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.6 p -124.2 143.48 37.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.51 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 54.9 mtmt -83.7 81.39 8.77 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.289 179.186 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.8 m -64.33 -37.78 80.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.47 -0.786 . . . . 0.0 112.52 -172.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -101.74 27.53 6.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.488 0.661 . . . . 0.0 110.136 -177.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -83.53 39.97 2.84 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.555 175.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 66.3 -65.38 0.19 Allowed 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.228 1.011 . . . . 0.0 111.69 -177.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -99.42 -17.0 18.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.74 0.305 . . . . 0.0 110.862 -178.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.434 ' HA ' ' O ' ' A' ' 12' ' ' LYS . . . 58.9 31.64 21.49 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.555 178.16 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.566 ' HA3' ' HB ' ' A' ' 89' ' ' ILE . . . -99.83 46.48 1.39 Allowed Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.73 -0.748 . . . . 0.0 113.562 -173.247 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 p -162.8 136.03 5.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.185 0.517 . . . . 0.0 111.89 176.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.33 153.85 37.2 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.114 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.552 ' HB2' ' HB ' ' A' ' 35' ' ' VAL . 7.8 p -148.34 155.3 41.11 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.128 0.489 . . . . 0.0 111.674 -177.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.601 HG22 HG13 ' A' ' 9' ' ' ILE . 22.5 t -112.37 131.01 65.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.033 177.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 60.4 mt -77.84 116.65 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 177.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.2 m -107.23 -31.2 2.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -144.39 147.12 33.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.831 0.348 . . . . 0.0 110.66 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.435 HG23 HG12 ' A' ' 33' ' ' VAL . 62.4 mt -116.3 114.63 46.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.507 -177.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.407 ' N ' HD12 ' A' ' 28' ' ' ILE . 3.7 mp -84.22 -56.25 5.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.035 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -137.62 -165.06 1.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.989 176.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -84.15 -8.48 59.07 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -171.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -121.6 -42.91 2.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.069 -0.394 . . . . 0.0 111.136 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -101.35 120.24 39.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.363 0.601 . . . . 0.0 111.044 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.435 HG12 HG23 ' A' ' 27' ' ' ILE . 27.2 m -123.62 167.81 16.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.346 178.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 61.8 tp -97.59 116.12 29.18 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 177.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.552 ' HB ' ' HB2' ' A' ' 22' ' ' CYS . 26.9 m -120.13 149.77 22.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.018 -178.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.0 t -157.74 171.47 20.25 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.382 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.606 ' HA3' ' HB ' ' A' ' 44' ' ' VAL . . . -125.74 162.39 19.98 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.413 -0.898 . . . . 0.0 111.28 175.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -66.2 143.59 71.67 Favored 'Trans proline' 0 C--O 1.237 0.466 0 C-N-CA 122.453 2.102 . . . . 0.0 111.751 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.45 -166.02 1.39 Allowed 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 176.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 67.37 -57.43 0.44 Allowed 'General case' 0 C--N 1.321 -0.671 0 O-C-N 124.115 0.884 . . . . 0.0 111.273 -178.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 58.9 mt -88.95 -73.45 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.275 -176.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.441 ' O ' ' HD3' ' A' ' 94' ' ' PRO . 4.6 m -90.1 -50.3 6.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.797 0.332 . . . . 0.0 111.23 -175.044 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.12 44.49 11.61 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.899 177.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.606 ' HB ' ' HA3' ' A' ' 37' ' ' GLY . 39.6 t -78.22 118.09 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 177.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.48 139.33 42.16 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.191 -178.102 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.0 ptt180 -72.29 149.24 44.66 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.389 0.614 . . . . 0.0 112.217 -172.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -158.23 150.93 22.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.203 -178.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 -92.94 109.82 21.27 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 173.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.7 t -122.53 157.92 27.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.205 -175.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -85.14 148.73 25.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.066 177.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 36.7 pt -84.67 8.2 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -176.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 46.2 tp -78.25 -11.0 59.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.907 0.384 . . . . 0.0 111.466 -175.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.417 ' C ' HD12 ' A' ' 54' ' ' LEU . 40.3 m170 -121.76 14.32 10.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.719 0.295 . . . . 0.0 110.989 -178.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.588 HD23 ' SG ' ' A' ' 10' ' ' CYS . 8.9 mp -118.58 128.18 54.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.041 -175.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.483 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 4.3 mm-40 -112.96 120.23 41.04 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.385 177.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.484 ' HB3' ' HG3' ' A' ' 8' ' ' ARG . 6.2 Cg_exo -80.24 134.17 10.15 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 123.28 2.653 . . . . 0.0 112.129 176.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 45.6 p -72.18 165.61 24.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.213 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -66.56 -24.91 66.42 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.767 -178.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -65.97 150.53 48.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.472 177.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -158.68 124.89 4.58 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.002 0.429 . . . . 0.0 111.208 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 15.4 pt -104.42 116.93 49.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 170.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -79.51 105.08 10.57 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.364 -170.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 38.4 pt -125.67 -169.45 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.338 176.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -121.95 -174.51 2.9 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.092 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -84.89 130.64 34.62 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 121.104 -0.238 . . . . 0.0 110.475 -177.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 120.29 24.87 2.58 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.233 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.84 128.93 34.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.799 0.333 . . . . 0.0 110.741 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.489 ' O ' HG23 ' A' ' 72' ' ' VAL . 22.3 p -94.73 169.59 10.05 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.188 -178.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.07 -48.82 70.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.504 178.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.558 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 3.7 tp10 -59.97 -42.58 94.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.543 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -60.34 -42.82 96.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.067 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.499 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 69.7 t -61.15 -47.38 93.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.577 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.558 ' HE3' ' HA ' ' A' ' 70' ' ' GLU . 37.8 mtmt -59.97 -40.95 90.81 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.97 0.414 . . . . 0.0 110.796 176.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.413 ' HE2' ' HG2' ' A' ' 75' ' ' LYS . 1.0 OUTLIER -56.35 -46.85 79.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.787 177.577 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.413 ' HG2' ' HE2' ' A' ' 74' ' ' LYS . 21.7 mtpp -80.17 -23.26 41.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.125 -175.324 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 64.8 mt -66.18 -33.59 76.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.107 0.48 . . . . 0.0 109.864 173.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -65.25 -42.33 93.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.546 177.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -61.92 -43.84 98.02 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.188 0.518 . . . . 0.0 110.648 177.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.3 m -76.82 -17.65 58.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.749 -175.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 15.9 m120 63.93 23.08 13.22 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.37 0.605 . . . . 0.0 110.212 -176.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 30.5 tp -91.9 0.01 57.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.236 -176.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.0 m -54.03 -42.94 69.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.869 -177.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.564 ' O ' ' HB2' ' A' ' 87' ' ' GLU . 50.4 mt-10 -64.72 -41.11 96.21 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.459 -178.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -74.68 -31.13 61.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.945 0.403 . . . . 0.0 110.756 -174.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.49 -38.14 49.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.115 0.483 . . . . 0.0 109.877 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -74.15 -31.9 62.92 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.83 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.564 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -77.32 -175.69 3.82 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 178.069 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.477 ' H ' ' CD ' ' A' ' 87' ' ' GLU . 24.7 tptt 72.32 -171.61 0.15 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.566 ' HB ' ' HA3' ' A' ' 19' ' ' GLY . 4.7 mp -77.68 146.64 8.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -178.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.1 pttt -147.47 126.5 12.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.485 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.418 ' N ' HD12 ' A' ' 91' ' ' ILE . 3.6 mp -87.44 110.09 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 -174.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 62.07 84.63 0.13 Allowed 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.73 177.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.57 158.92 72.96 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.448 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.441 ' HD3' ' O ' ' A' ' 42' ' ' THR . 6.9 Cg_exo -73.98 -8.42 21.16 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.01 2.473 . . . . 0.0 112.461 -179.003 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 30.3 m -90.63 98.1 11.57 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.677 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 52.0 tp . . . . . 0 C--O 1.253 1.243 0 CA-C-O 118.602 -0.713 . . . . 0.0 110.001 179.579 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ttt . . . . . 0 N--CA 1.478 0.938 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -63.2 119.97 7.24 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.529 2.153 . . . . 0.0 111.826 178.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.23 106.53 18.75 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.09 -178.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.3 mm -99.4 92.0 2.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 176.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -163.68 -170.65 2.26 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.42 -176.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.524 HG11 ' HB2' ' A' ' 65' ' ' LYS . 31.7 m -68.92 139.86 19.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.204 0.526 . . . . 0.0 109.97 177.071 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.59 9.3 72.28 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.518 -0.848 . . . . 0.0 112.175 -177.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -74.09 106.49 5.79 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 58.1 mt -82.62 121.25 35.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.232 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.549 ' HA ' ' HA ' ' A' ' 56' ' ' PRO . 4.7 p -140.72 156.97 46.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.059 -176.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.6 p -117.83 147.61 21.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.33 178.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.436 ' HZ3' HD11 ' A' ' 54' ' ' LEU . 47.1 tptt -72.97 125.14 26.9 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.18 -179.348 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.1 p -111.91 63.68 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-O 123.016 1.388 . . . . 0.0 109.803 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -82.84 20.31 1.2 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.169 -1.378 . . . . 0.0 110.802 177.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 144.17 -141.01 9.81 Favored Glycine 0 N--CA 1.444 -0.781 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -178.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 16' ' ' ARG . 23.0 mtm180 -89.45 -10.0 48.05 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.413 0.625 . . . . 0.0 110.079 176.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -91.79 98.2 11.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.195 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -127.78 89.66 2.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.205 0.526 . . . . 0.0 111.514 -177.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -128.23 -9.93 3.56 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.771 174.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.5 m -77.25 105.37 8.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.735 0.302 . . . . 0.0 110.301 178.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.586 ' HE2' ' O ' ' A' ' 84' ' ' TYR . 30.7 mttp -101.7 133.01 47.08 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.741 -177.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.565 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 58.4 m -141.01 148.56 40.47 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.44 -178.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.482 HG11 HD11 ' A' ' 61' ' ' ILE . 60.1 t -123.71 137.06 58.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.17 -178.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.4 mt -67.52 108.86 1.33 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.356 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 176.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.489 HG21 HG22 ' A' ' 36' ' ' THR . 57.5 t -109.53 -36.46 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.805 0.336 . . . . 0.0 111.02 -179.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.533 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 20.5 t0 -139.82 143.34 36.77 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.46 179.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.411 HG23 HG12 ' A' ' 33' ' ' VAL . 70.0 mt -113.74 115.66 50.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.028 0.442 . . . . 0.0 110.483 -177.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.423 ' N ' HD12 ' A' ' 28' ' ' ILE . 3.7 mp -96.81 -63.89 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.964 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -107.56 -159.1 0.68 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -179.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -80.06 -57.43 3.63 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.024 0.44 . . . . 0.0 110.738 -178.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.573 HD21 ' HB2' ' A' ' 52' ' ' LEU . 24.0 t-20 -94.93 -34.12 12.52 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-O 121.282 0.563 . . . . 0.0 109.854 179.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -84.63 104.29 14.49 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.76 -176.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.411 HG12 HG23 ' A' ' 27' ' ' ILE . 29.1 m -119.29 170.84 8.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.729 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.533 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . 56.2 tp -100.23 115.83 30.8 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 178.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.565 ' HB ' ' HB3' ' A' ' 22' ' ' CYS . 35.2 m -112.54 150.76 14.64 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.891 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 176.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.489 HG22 HG21 ' A' ' 25' ' ' VAL . 14.8 t -151.18 144.86 25.03 Favored 'General case' 0 C--N 1.312 -1.023 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.787 179.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.485 ' HA3' ' HB ' ' A' ' 44' ' ' VAL . . . -112.45 146.8 18.25 Favored Glycine 0 N--CA 1.441 -1.0 0 N-CA-C 109.866 -1.293 . . . . 0.0 109.866 171.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -49.02 122.65 8.68 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.959 2.439 . . . . 0.0 112.608 -175.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.0 ptmm? -71.22 -21.27 62.16 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.035 0.445 . . . . 0.0 110.647 -176.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -84.72 -33.88 23.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.665 -178.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.4 mt -130.26 107.52 14.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.127 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.529 ' OG1' ' HA ' ' A' ' 86' ' ' LYS . 7.9 m 71.7 86.06 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 O-C-N 123.862 0.726 . . . . 0.0 110.196 -175.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.21 77.24 0.58 Allowed Glycine 0 N--CA 1.453 -0.196 0 CA-C-N 115.652 -0.704 . . . . 0.0 113.708 -172.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.485 ' HB ' ' HA3' ' A' ' 37' ' ' GLY . 42.9 t -82.73 -23.96 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.096 0.474 . . . . 0.0 109.906 174.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 36' ' ' THR . 95.5 mttt 66.72 -161.93 0.24 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.371 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 46' ' ' ARG . 16.3 ptt180 -122.87 135.22 54.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.29 -179.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -169.51 161.22 9.56 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -95.65 123.91 39.43 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 176.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.1 m -139.26 22.85 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 111.546 0.202 . . . . 0.0 111.546 -175.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.512 ' HB2' ' OD1' ' A' ' 31' ' ' ASN . 8.1 p30 52.51 175.14 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.784 1.234 . . . . 0.0 112.577 -174.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 11.5 pt -119.23 -11.99 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 N-CA-C 112.354 0.502 . . . . 0.0 112.354 -177.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.573 ' HB2' HD21 ' A' ' 31' ' ' ASN . 3.5 tt -67.57 -45.53 75.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.978 0.418 . . . . 0.0 110.217 -176.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.408 ' C ' HD12 ' A' ' 54' ' ' LEU . 40.3 m-70 -94.34 26.74 3.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.161 0.505 . . . . 0.0 111.335 -177.385 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 50' ' ' ASN . 8.1 mp -124.79 136.89 54.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.443 -0.799 . . . . 0.0 108.9 170.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -109.96 128.99 24.43 Favored Pre-proline 0 C--N 1.318 -0.801 0 CA-C-O 120.833 0.349 . . . . 0.0 110.266 -176.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.549 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 87.7 Cg_endo -80.65 160.08 21.94 Favored 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 122.969 2.446 . . . . 0.0 113.263 -174.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 59.3 p -92.95 178.93 5.6 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.18 175.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -79.25 -4.58 51.38 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.914 0.388 . . . . 0.0 110.808 178.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -106.69 149.1 27.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.179 0.514 . . . . 0.0 111.176 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.1 ttpp -141.23 154.11 45.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.167 -0.924 . . . . 0.0 108.809 176.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.482 HD11 HG11 ' A' ' 23' ' ' VAL . 21.2 pt -116.66 157.53 17.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 174.25 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.91 46.6 1.12 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.177 0.513 . . . . 0.0 110.638 -174.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.7 pp -73.38 175.51 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.226 178.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -96.88 146.99 24.42 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.417 -176.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.524 ' HB2' HG11 ' A' ' 6' ' ' VAL . 7.7 ttpm? -65.65 112.95 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 177.181 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.23 37.77 5.85 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.23 -177.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.2 163.21 23.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.722 0.296 . . . . 0.0 110.466 176.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.436 ' O ' HG23 ' A' ' 72' ' ' VAL . 48.1 p -95.77 166.97 11.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.162 -178.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.453 ' O ' ' HG3' ' A' ' 73' ' ' LYS . 10.8 t70 -56.66 -35.07 67.98 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.739 176.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.47 ' HA ' ' NZ ' ' A' ' 73' ' ' LYS . 3.7 tp10 -64.69 -51.05 64.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.103 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.615 ' HA ' ' HD3' ' A' ' 74' ' ' LYS . 31.7 tp10 -59.4 -42.71 92.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.422 -178.018 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 68' ' ' SER . 97.7 t -60.8 -45.05 98.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.428 -179.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.47 ' NZ ' ' HA ' ' A' ' 70' ' ' GLU . 34.0 mtmm -65.89 -37.29 85.73 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 120.543 0.211 . . . . 0.0 111.263 -178.09 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.615 ' HD3' ' HA ' ' A' ' 71' ' ' GLU . 45.0 mtpt -60.29 -56.78 17.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.583 0.706 . . . . 0.0 110.284 177.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.444 ' HD3' ' HA ' ' A' ' 75' ' ' LYS . 26.3 mmtp -62.75 -32.13 73.21 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.909 -1.042 . . . . 0.0 111.604 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.4 HD12 ' HB3' ' A' ' 81' ' ' LEU . 41.2 tp -65.68 -41.2 92.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.896 0.379 . . . . 0.0 110.158 176.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.66 -40.51 92.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.062 179.053 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -59.79 -36.74 77.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.502 178.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.1 m -87.7 -10.51 50.97 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.754 0.311 . . . . 0.0 111.234 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 63.35 24.8 14.37 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.809 0.814 . . . . 0.0 110.375 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.4 ' HB3' HD12 ' A' ' 76' ' ' LEU . 21.6 tp -90.47 8.77 32.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.481 -175.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.6 m -55.81 -39.95 72.06 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.529 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -57.66 -51.88 67.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.132 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.586 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 13.4 t80 -67.12 -29.96 69.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.152 -172.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 19.7 mmt -72.32 -39.94 67.84 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 120.898 0.38 . . . . 0.0 111.188 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.529 ' HA ' ' OG1' ' A' ' 42' ' ' THR . 88.9 tttt -76.49 -58.31 3.35 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.594 -175.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -101.61 130.05 47.86 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.105 0.479 . . . . 0.0 111.419 -170.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -165.22 -165.13 0.83 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.07 177.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 51.4 mt -50.11 144.29 1.84 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.887 -174.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -59.16 113.47 2.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.04 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.429 HG23 ' HG3' ' A' ' 93' ' ' MET . 10.2 tt -113.04 137.23 46.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.08 176.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.42 ' O ' ' HD3' ' A' ' 94' ' ' PRO . 6.2 ptt180 -76.3 85.23 3.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.367 0.603 . . . . 0.0 111.237 -178.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.429 ' HG3' HG23 ' A' ' 91' ' ' ILE . 88.7 mtp -90.73 106.34 15.1 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.238 173.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 92' ' ' ARG . 27.4 Cg_exo -61.68 126.91 20.14 Favored 'Trans proline' 0 C--O 1.236 0.396 0 C-N-CA 122.684 2.256 . . . . 0.0 112.48 -176.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.5 m -78.48 68.17 4.42 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 175.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' A' ' 96' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.038 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 -177.253 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.483 1.21 0 CA-C-O 120.649 0.262 . . . . 0.0 110.744 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -70.03 103.98 1.29 Allowed 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 122.456 2.104 . . . . 0.0 111.453 177.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -155.51 169.76 23.54 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.069 -177.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 39.9 mm 55.5 60.32 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-O 121.84 0.828 . . . . 0.0 110.226 -176.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.406 ' HG2' ' H ' ' A' ' 6' ' ' VAL . 13.2 tt0 -176.37 -167.33 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 177.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.56 HG12 ' HA ' ' A' ' 25' ' ' VAL . 33.8 m -69.67 148.3 11.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.214 0.531 . . . . 0.0 111.596 -177.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.559 ' O ' ' HB2' ' A' ' 60' ' ' LYS . . . 94.7 -33.43 5.35 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.78 -0.724 . . . . 0.0 113.413 173.182 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.439 HH21 ' HA ' ' A' ' 58' ' ' ASP . 6.2 tpt180 -84.16 113.82 21.34 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.854 0.327 . . . . 0.0 110.599 -176.08 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.723 HG12 ' HA ' ' A' ' 60' ' ' LYS . 51.1 mm -71.7 125.81 30.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.32 -179.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 56' ' ' PRO . 56.5 m -123.59 146.71 47.95 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.202 -177.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.4 p -112.35 141.03 29.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.061 0.458 . . . . 0.0 110.999 -177.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.964 ' HD3' ' HB2' ' A' ' 20' ' ' SER . 50.6 mtpt -70.24 125.68 27.48 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.343 178.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.462 HG22 ' HA ' ' A' ' 54' ' ' LEU . 14.9 m -116.72 49.6 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.498 0.666 . . . . 0.0 111.745 -174.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -86.4 118.03 25.58 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 176.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.31 -75.16 2.36 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.797 -0.716 . . . . 0.0 111.581 -177.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 61.0 mtm-85 -137.82 -76.87 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 174.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -142.79 124.74 15.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.895 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.643 ' HB3' ' HB2' ' A' ' 12' ' ' LYS . . . -101.25 134.53 44.17 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.976 0.417 . . . . 0.0 110.515 178.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.442 ' HA3' ' H ' ' A' ' 89' ' ' ILE . . . -79.43 42.82 2.45 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.8 -0.637 . . . . 0.0 112.517 -177.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.964 ' HB2' ' HD3' ' A' ' 12' ' ' LYS . 5.9 m -130.35 113.66 14.63 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 178.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.489 ' NZ ' ' HB3' ' A' ' 87' ' ' GLU . 8.9 mptt -102.62 138.66 39.23 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 175.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 83.4 m -140.77 159.95 41.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.731 0.3 . . . . 0.0 110.652 -176.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.3 t -120.0 140.57 43.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.345 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 59.0 mt -93.18 131.45 40.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 175.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.56 ' HA ' HG12 ' A' ' 6' ' ' VAL . 11.8 m -122.08 -37.4 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -177.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.498 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 43.3 t0 -127.1 126.8 43.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.171 0.51 . . . . 0.0 110.751 -176.173 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.6 mm -95.06 102.28 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.542 -178.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 41.0 mm -79.86 -43.8 22.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.434 0.635 . . . . 0.0 110.316 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.503 ' CG ' ' H ' ' A' ' 30' ' ' ASP . 28.7 t70 -150.94 -172.18 4.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.202 -0.908 . . . . 0.0 108.885 -178.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.503 ' H ' ' CG ' ' A' ' 29' ' ' ASP . 4.3 m-20 -88.24 -19.83 26.3 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 120.923 0.392 . . . . 0.0 110.232 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -106.04 -32.69 8.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.561 175.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.428 ' HA ' ' HA ' ' A' ' 50' ' ' ASN . 97.1 m-85 -110.02 134.18 52.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.027 -177.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.8 m -136.9 173.95 12.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.735 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.498 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . 5.9 tt -109.92 115.47 29.86 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 173.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 30.8 m -106.82 149.5 10.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.668 -178.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.2 t -125.91 138.93 53.81 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.584 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.56 ' HA3' ' HB ' ' A' ' 44' ' ' VAL . . . -107.78 160.28 14.03 Favored Glycine 0 N--CA 1.441 -0.974 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 175.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.77 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 50.9 Cg_endo -72.4 95.91 0.79 Allowed 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 122.436 2.091 . . . . 0.0 112.387 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.505 ' O ' ' HE3' ' A' ' 73' ' ' LYS . 14.8 tmtt? -75.9 144.31 41.21 Favored 'General case' 0 N--CA 1.436 -1.159 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 177.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.494 ' HB2' ' O ' ' A' ' 39' ' ' LYS . 17.4 m-20 77.42 -27.66 0.17 Allowed 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.559 -1.201 . . . . 0.0 111.305 -173.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.77 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 75.3 mt -82.92 -59.77 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.745 0.307 . . . . 0.0 110.227 177.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.489 ' OG1' ' HG2' ' A' ' 38' ' ' PRO . 23.5 p -111.92 -54.71 2.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.995 0.426 . . . . 0.0 110.35 175.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.71 14.31 4.8 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.55 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.56 ' HB ' ' HA3' ' A' ' 37' ' ' GLY . 60.9 t -66.32 126.05 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.759 0.314 . . . . 0.0 110.801 178.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -78.24 158.14 29.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.065 -177.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 -125.65 132.71 52.4 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.543 -171.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.73 -178.89 2.34 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.174 175.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -80.02 131.74 35.85 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.712 0.291 . . . . 0.0 110.726 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.481 HG22 ' H ' ' A' ' 50' ' ' ASN . 8.9 p -157.56 172.09 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 -177.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.481 ' H ' HG22 ' A' ' 49' ' ' VAL . 26.4 p-10 -72.11 -177.04 1.94 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.837 0.351 . . . . 0.0 111.02 179.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.455 ' O ' HD22 ' A' ' 54' ' ' LEU . 23.5 pt -58.99 -22.03 20.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -177.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 43.5 tp 72.4 -11.32 0.83 Allowed 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 172.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 67.77 83.0 0.17 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.757 0.789 . . . . 0.0 110.206 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.472 ' H ' HD23 ' A' ' 54' ' ' LEU . 1.4 pt? -137.19 164.55 28.22 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.179 -178.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.481 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 43.7 mt-10 -125.5 134.76 26.12 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.791 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 55' ' ' GLU . 6.7 Cg_exo -73.21 142.98 34.81 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.879 2.386 . . . . 0.0 112.411 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 40.6 p -99.89 177.24 5.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.64 176.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.439 ' HA ' HH21 ' A' ' 8' ' ' ARG . 0.6 OUTLIER -80.3 -38.85 29.93 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.908 -179.472 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -75.99 134.28 40.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.25 0.547 . . . . 0.0 109.878 178.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.723 ' HA ' HG12 ' A' ' 9' ' ' ILE . 17.6 pttp -148.33 -167.75 2.9 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.861 -176.233 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.407 HG13 ' HA2' ' A' ' 7' ' ' GLY . 20.2 pt -120.17 -170.39 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 175.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.49 ' HB3' ' HE2' ' A' ' 75' ' ' LYS . 25.0 t70 -141.04 94.87 2.76 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -177.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.9 pt -136.45 175.61 9.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.163 -174.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -94.73 145.27 24.98 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.778 177.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.558 ' HA ' HG11 ' A' ' 6' ' ' VAL . 33.5 ttpt -69.18 112.06 5.53 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.128 0.49 . . . . 0.0 110.499 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 114.75 1.73 22.72 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.843 -175.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.75 145.11 35.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.976 0.417 . . . . 0.0 111.861 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.1 m -92.03 175.76 6.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.918 -179.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -56.82 -40.51 76.13 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.189 -0.46 . . . . 0.0 112.146 -175.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 0.8 OUTLIER -56.52 -49.47 74.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.122 0.487 . . . . 0.0 110.094 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -66.39 -40.97 90.0 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.905 -178.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.55 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 93.1 t -62.28 -48.59 87.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.325 177.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.505 ' HE3' ' O ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -55.69 -45.17 77.86 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.708 -178.802 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' A' ' 70' ' ' GLU . 32.7 mmtp -62.62 -47.04 85.47 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.465 -179.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.49 ' HE2' ' HB3' ' A' ' 62' ' ' ASP . 30.7 tptt -67.06 -33.73 76.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.95 -177.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 88.6 mt -60.89 -41.9 96.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.969 174.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -67.96 -46.39 71.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.711 178.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -53.76 -45.17 70.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.412 178.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.1 m -81.65 -7.61 59.61 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.343 -177.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.5 t30 60.55 26.48 16.14 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.773 0.797 . . . . 0.0 109.339 -175.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.52 HD21 HG13 ' A' ' 9' ' ' ILE . 43.7 tp -74.75 -19.31 60.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.2 -176.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.9 m -51.95 -35.14 45.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.177 178.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -61.29 -51.49 68.66 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.396 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.477 ' CZ ' ' HE2' ' A' ' 21' ' ' LYS . 53.9 t80 -78.28 -32.52 49.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.935 -179.143 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 12.6 ttt -72.7 -22.82 60.83 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.659 0.266 . . . . 0.0 111.347 -174.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -85.7 0.31 53.1 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.289 0.566 . . . . 0.0 110.205 178.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.489 ' HB3' ' NZ ' ' A' ' 21' ' ' LYS . 29.0 tt0 -64.99 111.37 2.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.288 0.566 . . . . 0.0 110.085 177.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.435 ' HB2' HD12 ' A' ' 91' ' ' ILE . 50.4 pttt -106.93 123.97 48.94 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.748 -171.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.442 ' H ' ' HA3' ' A' ' 19' ' ' GLY . 4.6 mp -127.29 133.66 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.887 177.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.446 ' HE2' ' HB3' ' A' ' 90' ' ' LYS . 15.1 mtpt 58.02 35.48 25.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.045 -177.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.435 HD12 ' HB2' ' A' ' 88' ' ' LYS . 61.8 mt -108.79 99.09 7.93 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 115.291 -0.868 . . . . 0.0 108.937 174.209 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -138.05 146.97 43.65 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.512 -174.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -96.17 145.5 29.67 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.99 177.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -75.59 -154.58 0.04 OUTLIER 'Trans proline' 0 N--CA 1.464 -0.249 0 C-N-CA 122.913 2.409 . . . . 0.0 111.169 174.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.5 t -55.85 115.5 2.42 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 121.32 0.581 . . . . 0.0 110.566 176.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 44.7 tp . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.31 -0.852 . . . . 0.0 109.883 -178.596 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.8 ttt . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 120.683 0.277 . . . . 0.0 110.672 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -65.12 152.05 83.58 Favored 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 122.528 2.152 . . . . 0.0 111.323 174.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 70.52 172.19 0.31 Allowed 'General case' 0 C--O 1.236 0.358 0 O-C-N 123.786 0.679 . . . . 0.0 111.455 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.466 HG13 HD13 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -116.44 134.08 61.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.953 -179.209 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.531 ' HA ' HD11 ' A' ' 27' ' ' ILE . 26.4 tt0 -154.09 175.4 13.48 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 177.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.595 HG21 ' HA ' ' A' ' 65' ' ' LYS . 7.9 p -56.65 133.01 21.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.237 0.541 . . . . 0.0 111.369 -179.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.09 -4.52 67.78 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.483 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.557 ' HB3' HD12 ' A' ' 24' ' ' ILE . 24.1 tpt85 -79.56 101.21 8.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.838 0.351 . . . . 0.0 110.548 -178.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.607 HG12 HG22 ' A' ' 23' ' ' VAL . 58.6 mt -69.12 128.7 33.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.009 176.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.619 ' HA ' ' HA ' ' A' ' 56' ' ' PRO . 39.8 m -132.63 151.22 52.01 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.031 -178.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.5 p -118.67 151.28 20.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.108 0.48 . . . . 0.0 110.982 -175.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 48.9 mmtm -78.67 95.35 5.25 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 174.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.5 p -63.91 -45.84 95.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.047 -175.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.3 tmmm? -126.47 134.17 51.01 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 138.07 -45.15 1.07 Allowed Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.806 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.7 tpm_? -136.94 16.87 3.04 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.942 0.401 . . . . 0.0 110.344 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 60.07 56.02 3.52 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.039 177.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.58 -163.27 0.27 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.499 177.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 81.73 -38.95 2.51 Favored Glycine 0 CA--C 1.518 0.243 0 CA-C-N 115.421 -0.809 . . . . 0.0 112.516 177.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.5 m -79.28 95.75 5.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.063 0.458 . . . . 0.0 110.328 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -105.56 137.37 43.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.289 -177.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 33.0 m -133.95 151.78 51.61 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.15 -177.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.607 HG22 HG12 ' A' ' 9' ' ' ILE . 46.5 t -110.08 130.24 63.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.517 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.557 HD12 ' HB3' ' A' ' 8' ' ' ARG . 63.0 mt -70.13 112.96 5.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.743 174.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.3 m -109.2 -30.17 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -177.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.572 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 18.2 t70 -139.32 118.45 12.65 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.946 0.403 . . . . 0.0 110.62 -179.136 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.531 HD11 ' HA ' ' A' ' 5' ' ' GLU . 53.4 mt -85.29 96.5 4.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.898 178.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 52.9 mt -74.66 -62.59 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.561 ' HB2' ' HB3' ' A' ' 32' ' ' PHE . 2.2 m-20 -125.31 -167.49 1.69 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.566 177.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -79.55 -31.77 42.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.612 0.244 . . . . 0.0 111.467 -178.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.4 ' O ' HG13 ' A' ' 51' ' ' ILE . 13.2 t-20 -117.4 -25.78 6.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.991 0.424 . . . . 0.0 110.707 177.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.561 ' HB3' ' HB2' ' A' ' 29' ' ' ASP . 25.0 t80 -89.51 120.6 30.97 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 176.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.44 HG22 ' N ' ' A' ' 34' ' ' LEU . 11.4 p -139.54 162.21 26.76 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 CA-C-O 121.34 0.591 . . . . 0.0 111.328 -172.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.572 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . 60.3 tp -109.65 116.82 32.45 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.264 177.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.407 HG12 ' HA ' ' A' ' 24' ' ' ILE . 31.2 m -121.63 151.37 25.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.041 0.448 . . . . 0.0 110.968 -177.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.3 t -148.57 166.85 27.01 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 175.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.534 ' HA3' ' HB ' ' A' ' 44' ' ' VAL . . . -139.14 116.69 1.27 Allowed Glycine 0 N--CA 1.44 -1.055 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 177.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.759 ' HG2' HD12 ' A' ' 76' ' ' LEU . 26.4 Cg_exo -30.87 111.89 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 124.345 3.363 . . . . 0.0 113.264 -176.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.855 ' HA ' ' HA2' ' A' ' 43' ' ' GLY . 59.9 mttp -78.88 0.79 25.84 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.069 -170.174 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.791 ' HB3' ' HD2' ' A' ' 73' ' ' LYS . 18.3 t70 -99.92 -15.98 18.15 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.7 0.762 . . . . 0.0 109.61 171.028 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.594 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 72.6 mt -102.75 -63.05 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.025 -176.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.486 HG23 HG23 ' A' ' 44' ' ' VAL . 9.5 t -115.86 -31.35 5.8 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.988 0.423 . . . . 0.0 110.739 -177.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.855 ' HA2' ' HA ' ' A' ' 39' ' ' LYS . . . 81.48 65.73 1.65 Allowed Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.725 177.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.534 ' HB ' ' HA3' ' A' ' 37' ' ' GLY . 90.0 t -111.98 119.31 59.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 175.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.705 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 24.8 mtpp -71.25 153.21 42.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.951 -178.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -70.38 124.29 23.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.109 0.481 . . . . 0.0 110.405 -178.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -148.75 142.41 25.5 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.076 -178.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 59.5 mtm180 -87.82 114.12 24.13 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 178.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.4 t -122.44 143.83 33.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.768 -173.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -83.78 135.09 34.67 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.933 174.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.466 HD13 HG13 ' A' ' 4' ' ' ILE . 52.2 mt -67.02 -8.98 8.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.366 0.603 . . . . 0.0 110.699 -178.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 38.9 tp -63.52 -11.94 28.2 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.379 177.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -130.83 27.39 4.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.732 0.301 . . . . 0.0 110.485 177.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 30.8 tp -137.15 126.4 24.72 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.922 -175.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -121.77 136.47 26.13 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 120.893 0.378 . . . . 0.0 110.314 178.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.619 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 90.1 Cg_endo -77.67 158.4 31.92 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.87 2.38 . . . . 0.0 113.704 -174.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.562 HG22 ' H ' ' A' ' 58' ' ' ASP . 0.9 OUTLIER -86.66 -175.4 5.41 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 175.461 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.562 ' H ' HG22 ' A' ' 57' ' ' THR . 5.4 m-20 -53.44 -74.58 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -176.198 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -105.6 167.33 9.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.297 0.57 . . . . 0.0 112.25 -172.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -112.37 141.02 46.61 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.512 -178.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.6 pt -86.37 142.79 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 176.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -93.09 93.07 8.1 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.156 0.503 . . . . 0.0 111.235 -173.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 34.8 pt -115.29 179.54 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.888 176.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -97.19 140.62 31.42 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.461 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.595 ' HA ' HG21 ' A' ' 6' ' ' VAL . 1.7 tmmt? -61.5 126.44 27.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.523 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.61 49.24 3.95 Favored Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -175.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -99.39 153.25 19.14 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.881 0.372 . . . . 0.0 111.123 -176.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.9 p -92.9 171.12 9.17 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.404 178.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.453 ' OD1' ' HA ' ' A' ' 38' ' ' PRO . 7.7 t70 -60.88 -35.57 76.96 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -63.38 -47.84 80.35 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.085 176.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -58.19 -51.08 71.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.673 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 44.6 t -62.87 -39.28 84.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.477 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.791 ' HD2' ' HB3' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -62.3 -47.11 85.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.209 179.028 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt -64.29 -42.31 96.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.203 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.75 -43.42 88.98 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.824 0.345 . . . . 0.0 110.512 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.759 HD12 ' HG2' ' A' ' 38' ' ' PRO . 21.4 mt -64.0 -33.24 75.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.373 178.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -76.38 -40.97 49.59 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.984 0.421 . . . . 0.0 110.081 178.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -59.41 -49.88 76.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.316 177.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.1 m -76.1 -8.34 56.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.387 178.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 62.36 21.32 12.46 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.152 177.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 30.2 tp -83.32 -7.23 59.62 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.3 t -53.66 -32.78 52.89 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.547 173.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -57.96 -51.52 69.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.487 177.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -71.6 -22.03 61.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.726 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 11.3 tpt -71.21 -31.29 67.42 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 177.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.68 -37.56 30.55 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 120.884 0.373 . . . . 0.0 110.347 174.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.33 128.02 34.32 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.068 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.512 ' NZ ' ' HB2' ' A' ' 88' ' ' LYS . 4.1 ttmp? 59.21 92.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.254 -178.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.622 HG12 ' H ' ' A' ' 90' ' ' LYS . 13.7 tt -132.42 175.05 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.421 -169.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.622 ' H ' HG12 ' A' ' 89' ' ' ILE . 57.3 pttt -62.49 134.13 55.96 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 123.203 0.601 . . . . 0.0 111.786 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.5 mp -100.8 117.85 46.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 173.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 44.4 ttt-85 -113.36 91.25 3.58 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 121.001 -0.279 . . . . 0.0 110.681 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.4 mpt? 65.32 171.99 0.09 OUTLIER Pre-proline 0 CA--C 1.534 0.331 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.987 179.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -77.23 13.3 1.58 Allowed 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.459 2.106 . . . . 0.0 112.077 174.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 26.1 p -95.27 80.32 3.55 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.159 -179.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.504 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 1.6 pt? . . . . . 0 C--O 1.25 1.096 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.036 177.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.51 ' SD ' ' HD2' ' A' ' 2' ' ' PRO . 51.1 tpp . . . . . 0 N--CA 1.479 1.004 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.51 ' HD2' ' SD ' ' A' ' 1' ' ' MET . 50.4 Cg_exo -54.01 106.21 0.16 Allowed 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.71 2.274 . . . . 0.0 112.106 177.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -130.81 171.49 13.08 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.885 -178.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.1 mm 65.01 95.25 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 O-C-N 123.944 0.777 . . . . 0.0 110.125 -177.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.445 ' HB3' ' HB2' ' A' ' 8' ' ' ARG . 12.2 tp10 -91.28 140.34 29.88 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.224 -174.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.3 m -64.35 109.92 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.626 0.727 . . . . 0.0 110.968 -178.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.97 -1.01 62.84 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.26 -0.882 . . . . 0.0 113.174 178.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.544 ' HA ' ' HA ' ' A' ' 60' ' ' LYS . 27.3 ttt180 -85.05 116.97 23.73 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 118.002 0.901 . . . . 0.0 109.938 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 64.2 mt -68.34 131.23 33.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.436 -175.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 56' ' ' PRO . 57.0 m -120.09 157.87 28.05 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.591 -176.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.6 p -126.14 145.58 33.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 177.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.58 ' HB2' ' HA ' ' A' ' 18' ' ' ALA . 1.6 mptm? -66.74 132.66 48.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.157 -177.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.6 m -121.9 -18.02 5.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.542 177.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -149.72 135.42 18.53 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.206 0.527 . . . . 0.0 110.871 -177.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.449 ' O ' ' HB2' ' A' ' 16' ' ' ARG . . . 135.71 8.31 1.71 Allowed Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.462 -0.875 . . . . 0.0 112.73 178.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' A' ' 15' ' ' GLY . 79.4 mtm180 76.4 -37.07 0.28 Allowed 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.376 0.67 . . . . 0.0 111.872 178.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -97.14 107.69 20.27 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 172.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.58 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . . . -133.79 30.05 3.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.087 0.47 . . . . 0.0 110.501 -175.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.557 ' HA2' ' HB ' ' A' ' 89' ' ' ILE . . . -110.48 40.65 2.48 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.554 -0.832 . . . . 0.0 112.311 -175.259 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.3 p -158.49 145.02 17.3 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.139 0.495 . . . . 0.0 111.926 -177.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -101.17 145.04 29.32 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 171.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.577 ' SG ' ' HE3' ' A' ' 12' ' ' LYS . 63.0 m -145.47 156.33 43.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.629 0.252 . . . . 0.0 111.137 -176.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.3 p -125.21 148.14 29.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 177.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.78 HG13 HG12 ' A' ' 35' ' ' VAL . 4.2 mp -91.58 122.58 43.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.7 m -96.32 -28.45 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -177.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.527 ' OD2' ' HG2' ' A' ' 65' ' ' LYS . 14.8 t70 -155.23 138.46 15.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.912 0.387 . . . . 0.0 110.632 -179.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.474 ' HB ' ' HE2' ' A' ' 65' ' ' LYS . 43.6 mm -86.44 105.96 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.426 175.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.3 mm -76.87 -57.91 5.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.94 0.4 . . . . 0.0 110.63 -176.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -136.3 -172.32 3.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.591 -178.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -63.76 -37.22 86.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.504 179.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.441 ' O ' ' HA ' ' A' ' 50' ' ' ASN . 50.0 t30 -111.63 -30.0 7.51 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.927 -177.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -92.98 123.98 36.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.172 0.51 . . . . 0.0 111.691 -177.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.0 m -126.78 152.26 34.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.013 176.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 tt -96.8 116.11 28.58 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.78 HG12 HG13 ' A' ' 24' ' ' ILE . 35.0 m -114.79 151.6 16.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.692 -178.219 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.491 ' HB ' ' HA ' ' A' ' 46' ' ' ARG . 7.2 t -167.71 171.18 10.33 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.727 178.057 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.56 169.59 20.71 Favored Glycine 0 N--CA 1.441 -0.991 0 N-CA-C 110.029 -1.229 . . . . 0.0 110.029 172.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -67.01 95.95 0.37 Allowed 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.924 1.749 . . . . 0.0 110.883 175.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.594 ' HA ' ' O ' ' A' ' 42' ' ' THR . 3.8 ptpp? -74.84 1.98 11.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.521 0.676 . . . . 0.0 111.053 -173.104 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.552 ' HB3' ' HD3' ' A' ' 73' ' ' LYS . 38.4 t70 -91.57 -12.57 33.99 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.891 173.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.602 HG23 ' HD2' ' A' ' 86' ' ' LYS . 2.5 mp -120.48 -53.97 3.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.274 179.142 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.594 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 5.8 m -114.18 152.24 31.51 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.892 -177.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.88 52.65 4.49 Favored Glycine 0 CA--C 1.518 0.236 0 C-N-CA 120.779 -0.724 . . . . 0.0 113.124 -176.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.0 t -115.27 126.52 72.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 179.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.488 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 98.9 mttt -113.51 170.44 8.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.014 -175.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.491 ' HA ' ' HB ' ' A' ' 36' ' ' THR . 0.0 OUTLIER -84.59 136.35 33.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.292 0.568 . . . . 0.0 112.395 -171.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.8 mtt180 -153.43 149.26 27.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.126 175.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -97.81 115.56 28.28 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.06 0.457 . . . . 0.0 110.016 174.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.3 m -125.69 177.91 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.959 -175.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.441 ' HA ' ' O ' ' A' ' 31' ' ' ASN . 26.1 p-10 -96.45 152.48 18.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.319 178.207 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.401 ' H ' HG12 ' A' ' 51' ' ' ILE . 12.2 pt -79.05 78.41 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.402 0.62 . . . . 0.0 111.755 -178.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 29.5 tp -164.09 35.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.761 179.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -136.78 -37.09 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -176.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.507 HD13 ' N ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -126.22 155.07 42.4 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.214 0.53 . . . . 0.0 112.099 -173.747 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -124.56 140.97 36.56 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.707 174.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.415 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 39.4 Cg_endo -66.47 152.59 80.51 Favored 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 122.927 2.418 . . . . 0.0 113.501 -174.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 67.7 p -92.52 -165.94 1.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.859 175.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -81.07 -21.24 40.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.81 0.338 . . . . 0.0 110.956 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -96.73 146.13 25.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.559 0.695 . . . . 0.0 112.576 -172.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.544 ' HA ' ' HA ' ' A' ' 8' ' ' ARG . 16.4 ttpt -138.14 122.53 18.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.583 175.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.6 pt -88.84 111.64 22.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 172.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.468 ' HA ' ' HE3' ' A' ' 60' ' ' LYS . 18.4 t70 -66.33 102.57 0.88 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.435 -172.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.7 pt -125.75 -174.24 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.335 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -118.29 150.87 38.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.939 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.527 ' HG2' ' OD2' ' A' ' 26' ' ' ASP . 63.1 tttm -55.39 109.72 0.59 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.099 0.476 . . . . 0.0 110.596 178.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.53 50.52 0.97 Allowed Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 111.623 -0.591 . . . . 0.0 111.623 -177.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.71 -174.75 2.98 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.744 0.307 . . . . 0.0 110.686 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.1 m -150.63 179.33 8.27 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.544 ' OD2' ' HG2' ' A' ' 39' ' ' LYS . 2.6 m-20 -52.79 -41.17 63.87 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -175.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -56.86 -52.09 66.49 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 120.906 0.384 . . . . 0.0 110.583 -178.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -58.28 -47.1 84.71 Favored 'General case' 0 N--CA 1.439 -0.975 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.654 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 89.9 t -55.69 -50.9 64.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.479 178.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.552 ' HD3' ' HB3' ' A' ' 40' ' ' ASP . 40.7 mtmt -64.44 -39.38 93.72 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.174 0.512 . . . . 0.0 110.283 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -56.19 -46.1 79.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.488 178.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -77.71 -31.98 52.67 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.232 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.4 HD21 ' HA ' ' A' ' 82' ' ' THR . 32.8 tp -66.19 -38.77 88.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.454 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -62.02 -47.82 83.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.715 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -59.04 -45.7 90.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.997 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.3 m -76.32 -21.54 56.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.831 -176.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 55.81 58.25 4.6 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.983 0.897 . . . . 0.0 109.636 -174.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.568 HD13 ' O ' ' A' ' 81' ' ' LEU . 0.9 OUTLIER -114.28 8.2 16.68 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.152 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.4 ' HA ' HD21 ' A' ' 76' ' ' LEU . 1.7 m -55.08 -45.95 75.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.662 -1.154 . . . . 0.0 112.299 -174.254 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -67.47 -36.16 80.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.797 0.332 . . . . 0.0 111.642 -176.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -77.35 -28.31 52.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.056 0.455 . . . . 0.0 110.718 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.32 -41.24 28.43 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.907 0.384 . . . . 0.0 110.027 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.602 ' HD2' HG23 ' A' ' 41' ' ' ILE . 82.5 tttt -73.65 -6.54 47.35 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.494 0.664 . . . . 0.0 110.523 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -66.09 118.06 9.31 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.684 176.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -72.68 143.89 47.93 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.482 178.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.557 ' HB ' ' HA2' ' A' ' 19' ' ' GLY . 36.3 mm -108.6 153.29 10.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 177.027 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.509 ' HE3' ' HB2' ' A' ' 90' ' ' LYS . 20.6 ttmt -80.66 158.08 25.74 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.682 -0.235 . . . . 0.0 110.702 -173.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.405 ' HB ' ' O ' ' A' ' 90' ' ' LYS . 44.2 mm 71.58 79.91 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.384 0 CA-C-O 122.047 0.927 . . . . 0.0 111.336 -179.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -161.61 141.96 10.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.536 -1.211 . . . . 0.0 109.326 176.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.5 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 1.2 pmm? -79.02 125.76 83.21 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 120.934 0.397 . . . . 0.0 110.309 179.312 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.5 ' HD3' ' HA ' ' A' ' 93' ' ' MET . 3.9 Cg_exo -81.03 13.78 2.27 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 123.202 2.601 . . . . 0.0 111.894 179.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.7 t -157.72 138.54 13.15 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.011 -178.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.5 pp . . . . . 0 C--O 1.248 0.982 0 CA-C-O 119.073 -0.489 . . . . 0.0 109.862 178.33 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mpp? . . . . . 0 N--CA 1.478 0.94 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -67.89 102.6 0.78 Allowed 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.088 1.859 . . . . 0.0 112.024 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -165.58 120.28 1.25 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.138 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.4 mm 60.78 85.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-O 121.634 0.73 . . . . 0.0 109.587 -172.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.433 ' CG ' ' HB2' ' A' ' 8' ' ' ARG . 15.5 pt-20 -143.98 164.0 31.85 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.907 -175.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.454 ' HA ' ' O ' ' A' ' 24' ' ' ILE . 17.4 m -73.61 126.65 34.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.154 0.502 . . . . 0.0 110.352 177.228 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.479 ' HA3' HG12 ' A' ' 63' ' ' ILE . . . 98.7 -4.52 59.61 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.637 -0.792 . . . . 0.0 113.067 178.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.433 ' HB2' ' CG ' ' A' ' 5' ' ' GLU . 13.0 ttt180 -97.13 111.18 23.53 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.236 -0.586 . . . . 0.0 109.884 178.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.714 HG13 HG22 ' A' ' 23' ' ' VAL . 3.7 mp -68.55 110.15 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.331 -178.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 55.5 m -103.39 141.25 36.28 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 -178.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.501 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 5.6 p -149.19 136.72 13.79 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.419 -176.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.636 ' HA ' ' HB1' ' A' ' 18' ' ' ALA . 0.1 OUTLIER 50.99 174.58 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 125.058 1.343 . . . . 0.0 114.527 176.775 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.481 ' C ' ' HD2' ' A' ' 14' ' ' LYS . 47.0 t -120.47 -78.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 114.905 -1.043 . . . . 0.0 108.326 172.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.481 ' HD2' ' C ' ' A' ' 13' ' ' VAL . 10.8 mptt -125.48 23.37 7.51 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.441 0.639 . . . . 0.0 109.865 173.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.82 -145.14 19.21 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.208 -0.906 . . . . 0.0 111.705 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.511 ' H ' HD12 ' A' ' 91' ' ' ILE . 0.2 OUTLIER 69.43 -74.15 0.08 Allowed 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.42 0.688 . . . . 0.0 111.488 175.749 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -119.03 24.79 10.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.476 0.655 . . . . 0.0 110.442 -174.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.636 ' HB1' ' HA ' ' A' ' 12' ' ' LYS . . . -148.56 113.01 5.3 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.997 -179.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -139.21 17.68 3.14 Favored Glycine 0 N--CA 1.453 -0.176 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.557 175.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.7 m -118.36 141.89 48.08 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 -175.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.639 ' HD2' ' SD ' ' A' ' 85' ' ' MET . 35.1 mttp -92.33 141.85 28.09 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.152 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.546 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 32.2 m -133.64 143.11 48.39 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.174 0.512 . . . . 0.0 110.079 176.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.714 HG22 HG13 ' A' ' 9' ' ' ILE . 42.1 t -108.08 121.29 60.85 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.311 -179.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.454 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 61.4 mt -74.95 104.49 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 174.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.9 m -101.71 -22.16 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.732 -175.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.604 ' HA ' ' HG3' ' A' ' 65' ' ' LYS . 2.8 t0 -147.85 162.29 39.55 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 -178.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.1 mm -121.58 111.75 32.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.286 -176.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.571 HG21 ' HD3' ' A' ' 48' ' ' ARG . 38.2 mm -90.5 -53.89 8.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.072 0.463 . . . . 0.0 109.975 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.546 ' HB2' ' H ' ' A' ' 32' ' ' PHE . 15.2 m-20 -128.75 -176.52 3.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.213 176.289 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -85.73 -3.26 58.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.538 0.685 . . . . 0.0 109.481 175.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -118.66 -50.07 2.43 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.02 176.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.546 ' H ' ' HB2' ' A' ' 29' ' ' ASP . 92.5 m-85 -88.88 106.66 18.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.825 179.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.7 m -102.16 158.74 4.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.01 176.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 tt -94.39 114.4 26.43 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.546 ' HB ' ' HB3' ' A' ' 22' ' ' CYS . 29.5 m -114.29 146.98 18.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.403 -179.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.4 t -149.92 153.74 37.15 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.107 177.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.41 137.16 11.57 Favored Glycine 0 N--CA 1.441 -1.015 0 N-CA-C 110.416 -1.074 . . . . 0.0 110.416 174.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.841 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 99.2 Cg_exo -43.99 123.66 4.25 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 123.212 2.608 . . . . 0.0 111.976 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -46.68 -50.15 18.23 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -170.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -92.72 -31.62 15.01 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.875 0.369 . . . . 0.0 111.497 -175.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.841 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 68.6 mt -79.13 -40.89 22.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.833 -174.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.5 m -124.41 -45.95 1.92 Allowed 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.951 -0.3 . . . . 0.0 111.377 -175.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.12 61.03 3.88 Favored Glycine 0 CA--C 1.521 0.446 0 C-N-CA 121.05 -0.595 . . . . 0.0 113.054 178.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.7 t -111.2 128.21 67.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 122.618 -0.343 . . . . 0.0 110.496 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -66.55 142.8 57.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.261 -179.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.556 ' HD2' ' N ' ' A' ' 46' ' ' ARG . 1.5 mpt_? -99.04 133.4 43.37 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.758 0.313 . . . . 0.0 111.052 -173.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -169.99 169.41 8.13 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 177.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.571 ' HD3' HG21 ' A' ' 28' ' ' ILE . 74.6 mtt180 -78.85 106.27 10.75 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 177.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.8 t -112.15 144.82 19.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 120.847 0.356 . . . . 0.0 110.867 -173.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -64.16 146.13 54.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.654 178.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.2 pt -73.53 16.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.948 178.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 35.7 tp -112.94 5.44 17.3 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.219 0.533 . . . . 0.0 110.126 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 36.3 t60 -92.86 -16.64 25.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.735 -177.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -153.33 159.13 42.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.181 -179.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.424 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 46.0 mt-10 -116.32 148.45 41.68 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.417 179.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 55' ' ' GLU . 16.8 Cg_exo -66.31 138.94 52.88 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.822 2.348 . . . . 0.0 111.918 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 64.2 p -92.69 -172.57 3.08 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.248 0.547 . . . . 0.0 111.882 -176.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -76.43 -22.86 54.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.88 -177.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 50.4 mttm -125.67 151.75 46.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.121 0.486 . . . . 0.0 111.505 -171.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.41 ' HB3' ' HG3' ' A' ' 8' ' ' ARG . 18.1 ptmt -139.59 153.62 47.42 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.195 178.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.416 ' O ' HG13 ' A' ' 61' ' ' ILE . 35.1 pt -107.52 113.16 42.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 168.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -71.12 99.7 1.9 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.404 0.621 . . . . 0.0 111.397 -171.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.479 HG12 ' HA3' ' A' ' 7' ' ' GLY . 37.1 pt -123.8 -171.09 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.828 177.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -112.39 169.35 8.94 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.708 177.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.604 ' HG3' ' HA ' ' A' ' 26' ' ' ASP . 28.3 ttpp -73.05 127.25 32.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.142 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.03 24.25 7.73 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.633 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.11 143.39 32.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.769 0.319 . . . . 0.0 110.711 177.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.44 ' O ' HG23 ' A' ' 72' ' ' VAL . 46.2 p -103.65 172.75 6.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.294 -177.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.539 ' OD2' ' HA ' ' A' ' 38' ' ' PRO . 15.9 t70 -53.75 -32.89 53.94 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.548 177.431 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -58.65 -51.82 68.32 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.398 -178.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -71.31 -34.33 70.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.309 -177.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 68' ' ' SER . 85.0 t -58.56 -40.8 80.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.271 177.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.754 ' HE3' ' HB3' ' A' ' 38' ' ' PRO . 1.5 mptm? -64.63 -34.43 78.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.309 178.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.481 ' O ' ' HG3' ' A' ' 78' ' ' GLU . 4.5 tmtt? -77.54 -43.48 31.79 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.814 0.34 . . . . 0.0 110.575 -177.3 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.484 ' HB2' ' HE2' ' A' ' 75' ' ' LYS . 18.3 ttmm -78.93 -24.25 44.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.319 -175.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 22.3 tp -63.79 -37.49 87.56 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 173.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.479 ' HB3' ' O ' ' A' ' 74' ' ' LYS . 28.6 tt0 -60.51 -51.49 69.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.529 173.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 41.9 mt-10 -56.92 -41.3 77.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.29 -178.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.9 m -79.41 -11.49 59.91 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.523 -178.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 57.74 45.74 18.33 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.664 0.745 . . . . 0.0 109.84 -178.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 22.4 tp -119.14 11.53 12.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.027 -176.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.4 m -54.48 -54.24 43.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.006 -0.997 . . . . 0.0 112.449 -173.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -66.67 -43.69 83.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.188 0.518 . . . . 0.0 110.976 -175.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -61.09 -31.86 71.53 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.725 -177.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.639 ' SD ' ' HD2' ' A' ' 21' ' ' LYS . 14.0 tpt -75.1 -36.63 61.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.779 179.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -62.22 -42.86 99.69 Favored 'General case' 0 C--O 1.236 0.363 0 O-C-N 123.493 0.496 . . . . 0.0 110.9 -179.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -63.06 131.67 49.35 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.995 -178.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 53.6 mttp -106.59 151.51 24.94 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.303 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 53.5 mt -91.72 137.77 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.177 0.513 . . . . 0.0 110.857 -174.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.428 ' HE3' ' HB2' ' A' ' 90' ' ' LYS . 24.5 mtmt -138.7 143.09 38.97 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.941 -179.298 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.511 HD12 ' H ' ' A' ' 16' ' ' ARG . 63.9 mt -123.61 123.04 66.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 177.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.648 ' HG2' ' H ' ' A' ' 93' ' ' MET . 18.8 ttm180 70.43 -153.93 0.12 Allowed 'General case' 0 CA--C 1.534 0.355 0 O-C-N 123.854 0.721 . . . . 0.0 109.226 -178.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.736 ' HB3' ' HD2' ' A' ' 94' ' ' PRO . 67.5 mtt -134.95 173.07 6.2 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 -176.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.736 ' HD2' ' HB3' ' A' ' 93' ' ' MET . 1.3 Cg_endo -46.41 -28.93 6.5 Favored 'Trans proline' 0 C--N 1.357 0.979 0 C-N-CA 123.497 2.798 . . . . 0.0 113.204 177.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 91.5 m -85.89 105.46 16.39 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 170.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.428 HD13 ' NH1' ' A' ' 92' ' ' ARG . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.521 -0.752 . . . . 0.0 110.486 -172.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.479 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 1.9 mpt? . . . . . 0 N--CA 1.479 1.018 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 5.2 Cg_exo -79.72 152.72 22.67 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 123.173 2.582 . . . . 0.0 112.244 -179.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.486 ' O ' ' HB ' ' A' ' 4' ' ' ILE . . . -81.41 114.64 20.3 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.929 175.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.486 ' HB ' ' O ' ' A' ' 3' ' ' ALA . 97.5 mt 74.5 110.92 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 O-C-N 124.039 0.837 . . . . 0.0 110.611 -177.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -152.71 168.31 26.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.202 -173.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.5 HG11 ' HA ' ' A' ' 65' ' ' LYS . 16.2 m -69.15 137.38 24.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.045 0.45 . . . . 0.0 111.218 -179.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.65 -13.13 59.39 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.659 -0.701 . . . . 0.0 112.822 177.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -86.3 136.15 33.26 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.911 0.386 . . . . 0.0 110.003 -177.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.595 HG12 HG22 ' A' ' 23' ' ' VAL . 63.8 mt -79.92 129.34 37.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.962 -176.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.426 ' HB2' ' HB3' ' A' ' 54' ' ' LEU . 2.2 p -112.58 133.17 54.76 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.095 0.474 . . . . 0.0 110.105 175.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.5 p -101.45 143.63 14.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.366 -178.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.506 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 38.2 ttmt -75.49 103.25 5.54 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.774 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.5 m -88.02 7.97 2.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.02 0.438 . . . . 0.0 111.027 -178.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -69.44 145.4 52.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.872 177.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.93 146.23 35.92 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.961 -0.563 . . . . 0.0 113.672 -177.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 74.21 -5.49 2.06 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.046 0.938 . . . . 0.0 111.542 175.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -139.72 30.75 2.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.735 -0.212 . . . . 0.0 110.914 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.506 ' HA ' ' O ' ' A' ' 12' ' ' LYS . . . -76.04 36.46 0.14 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.08 0.466 . . . . 0.0 111.927 -176.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.482 ' CA ' ' HB ' ' A' ' 89' ' ' ILE . . . -144.64 11.14 1.94 Allowed Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.742 177.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.6 t -94.43 136.01 35.21 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -177.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -119.33 148.95 42.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.006 0.432 . . . . 0.0 111.537 -174.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.6 p -153.6 155.66 36.53 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.029 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.595 HG22 HG12 ' A' ' 9' ' ' ILE . 46.0 t -111.48 134.53 53.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.394 0.14 . . . . 0.0 110.644 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.6 mt -77.16 96.93 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 174.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.561 ' HB ' ' HB3' ' A' ' 67' ' ' ALA . 29.9 m -96.53 -29.87 3.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.899 -173.083 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.555 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 16.9 t0 -140.9 128.5 21.44 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.123 0.487 . . . . 0.0 110.779 -175.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.8 mt -113.34 108.44 25.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.581 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.467 ' H ' HD12 ' A' ' 28' ' ' ILE . 4.0 mp -89.84 -59.81 2.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 -177.137 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.693 ' HB2' ' HB2' ' A' ' 32' ' ' PHE . 3.0 m-20 -107.81 -172.72 2.12 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.513 177.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -77.15 -32.64 56.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.922 0.391 . . . . 0.0 110.676 -176.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -112.38 -31.12 6.93 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.059 177.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.693 ' HB2' ' HB2' ' A' ' 29' ' ' ASP . 96.0 m-85 -80.57 103.78 10.65 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.987 0.423 . . . . 0.0 110.286 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.2 m -125.3 153.49 32.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.946 -176.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.555 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . 50.5 tp -98.08 116.17 29.74 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.202 178.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.529 ' O ' ' HB3' ' A' ' 46' ' ' ARG . 35.6 m -116.99 147.67 20.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.198 176.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.482 ' HA ' ' HB3' ' A' ' 46' ' ' ARG . 12.1 t -166.44 168.48 14.8 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -179.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -107.76 -165.54 21.61 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 174.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -74.63 153.12 43.51 Favored 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 122.772 2.314 . . . . 0.0 112.248 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.434 ' O ' ' HB3' ' A' ' 40' ' ' ASP . 5.2 ttpm? -90.92 129.54 36.94 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.434 ' HB3' ' O ' ' A' ' 39' ' ' LYS . 25.1 t70 76.05 -54.19 0.61 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.535 -1.212 . . . . 0.0 110.686 -177.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 62.0 mt -69.07 117.17 11.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 172.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.451 HG22 HG23 ' A' ' 44' ' ' VAL . 26.2 m 72.87 -51.12 0.71 Allowed 'General case' 0 CA--C 1.536 0.413 0 O-C-N 123.725 0.641 . . . . 0.0 110.21 -173.134 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.92 56.1 2.98 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 121.258 -0.496 . . . . 0.0 112.947 173.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.451 HG23 HG22 ' A' ' 42' ' ' THR . 49.7 t -131.64 92.06 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.745 0.307 . . . . 0.0 110.934 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.412 ' HA ' ' OG1' ' A' ' 36' ' ' THR . 64.9 tttp -94.69 106.82 18.82 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 174.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.592 ' HE ' HG11 ' A' ' 49' ' ' VAL . 16.1 tpt180 -102.96 149.18 24.78 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.518 -175.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -87.59 176.86 7.25 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.656 178.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 48' ' ' ARG . 5.5 ptp180 -68.49 126.68 30.4 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 170.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.592 HG11 ' HE ' ' A' ' 46' ' ' ARG . 17.9 m -128.72 2.79 2.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 112.816 0.672 . . . . 0.0 112.816 -169.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.9 t30 69.22 150.93 0.08 Allowed 'General case' 0 CA--C 1.537 0.472 0 O-C-N 123.805 0.691 . . . . 0.0 110.816 -178.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.477 HD13 HD13 ' A' ' 4' ' ' ILE . 60.3 mt -77.43 85.32 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.327 0.584 . . . . 0.0 110.398 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.8 mt -105.21 -74.01 0.66 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.292 177.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -118.95 51.27 1.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.751 0.31 . . . . 0.0 110.876 -175.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.426 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 96.0 mt -128.24 126.86 41.74 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.486 -179.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -112.27 133.85 21.65 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.561 176.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -69.23 133.12 25.73 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.556 2.171 . . . . 0.0 111.524 175.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 62.7 p -97.75 -179.31 4.4 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.374 -177.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -64.69 -27.5 68.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.567 177.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.517 ' N ' ' HD2' ' A' ' 59' ' ' LYS . 3.7 mptp? -87.96 135.49 33.38 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.568 0.699 . . . . 0.0 111.072 -174.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -153.21 130.74 11.44 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.194 -177.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 31.1 pt -90.69 128.15 42.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 172.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -72.81 107.8 5.43 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.101 0.477 . . . . 0.0 109.862 -177.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.634 HD11 ' HG2' ' A' ' 71' ' ' GLU . 15.8 tt -149.6 169.65 2.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.843 -174.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -94.96 172.39 8.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.037 0.446 . . . . 0.0 111.54 -177.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.5 ' HA ' HG11 ' A' ' 6' ' ' VAL . 33.9 ttpt -75.34 126.22 30.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.304 -176.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.14 53.98 2.69 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.504 178.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.561 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . . . -71.12 150.85 45.05 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.267 0.556 . . . . 0.0 111.875 -175.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.5 ' O ' HG23 ' A' ' 72' ' ' VAL . 5.9 p -107.04 160.26 15.68 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.208 178.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -48.92 -52.2 25.94 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.473 0.483 . . . . 0.0 111.624 -176.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -62.3 -40.72 97.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.584 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.634 ' HG2' HD11 ' A' ' 63' ' ' ILE . 41.8 tt0 -66.25 -39.88 89.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.742 -178.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 68' ' ' SER . 88.3 t -61.52 -43.58 97.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.03 0.443 . . . . 0.0 110.084 176.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.434 ' HB3' ' HZ3' ' A' ' 73' ' ' LYS . 5.5 ttpm? -61.63 -37.07 82.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.365 178.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.416 ' O ' ' HB3' ' A' ' 77' ' ' GLU . 45.8 tttm -66.75 -46.7 74.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.905 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.435 ' HG2' ' HB ' ' A' ' 63' ' ' ILE . 5.5 mptp? -66.33 -29.21 69.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.053 178.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 44.0 tp -64.15 -35.27 80.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.709 174.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.416 ' HB3' ' O ' ' A' ' 74' ' ' LYS . 37.9 tt0 -70.35 -51.64 28.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.599 175.216 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -52.65 -40.59 62.97 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.735 -178.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.3 m -89.96 -16.24 30.31 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.244 -178.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.7 t30 47.06 68.03 0.7 Allowed 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.811 0.815 . . . . 0.0 109.782 -170.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.47 ' HG ' ' HB3' ' A' ' 84' ' ' TYR . 15.2 tp -115.13 18.66 16.15 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.113 -0.948 . . . . 0.0 110.037 -174.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.1 m -57.12 -53.29 59.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.899 -175.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.52 -32.02 73.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.78 -177.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.47 ' HB3' ' HG ' ' A' ' 81' ' ' LEU . 84.2 t80 -68.09 -28.6 67.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.144 -177.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 11.2 mmt -94.98 -15.31 23.64 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.697 0.284 . . . . 0.0 111.009 177.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -78.94 -43.16 25.22 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.556 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -77.02 151.22 35.67 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 120.859 0.361 . . . . 0.0 110.164 177.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -101.42 165.19 11.39 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.005 0.431 . . . . 0.0 110.784 -178.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.482 ' HB ' ' CA ' ' A' ' 19' ' ' GLY . 53.9 mt -109.39 139.55 31.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 173.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.429 ' HA ' ' HD3' ' A' ' 90' ' ' LYS . 73.7 mmtt 67.11 176.55 0.24 Allowed 'General case' 0 C--N 1.33 -0.241 0 O-C-N 123.613 0.571 . . . . 0.0 111.033 -174.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 10.8 tp 43.52 34.95 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 124.121 0.968 . . . . 0.0 111.828 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 38.7 ttt180 -106.88 91.26 3.59 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.36 -0.837 . . . . 0.0 108.91 -178.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.699 ' HB2' ' HB2' ' A' ' 96' ' ' LEU . 90.8 mmm -106.6 149.63 38.61 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.426 -170.199 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -70.32 128.64 15.79 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 122.584 2.189 . . . . 0.0 111.111 172.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.0 m 77.77 -11.69 1.17 Allowed 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.096 0.559 . . . . 0.0 110.971 -178.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.699 ' HB2' ' HB2' ' A' ' 93' ' ' MET . 92.5 mt . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.879 -0.581 . . . . 0.0 109.633 178.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.424 ' HA ' ' HD2' ' A' ' 2' ' ' PRO . 16.6 tpt . . . . . 0 N--CA 1.477 0.903 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 1' ' ' MET . 22.4 Cg_endo -63.36 124.13 13.3 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.033 1.822 . . . . 0.0 111.027 174.336 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 70.31 177.92 0.26 Allowed 'General case' 0 N--CA 1.457 -0.075 0 O-C-N 123.915 0.759 . . . . 0.0 110.492 -175.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.636 HD11 HG11 ' A' ' 33' ' ' VAL . 9.2 tp 38.99 60.76 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-O 122.608 1.194 . . . . 0.0 111.433 -176.144 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.52 ' HG3' ' HB2' ' A' ' 8' ' ' ARG . 15.5 pt-20 -126.36 164.23 21.54 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.435 -1.257 . . . . 0.0 109.924 -176.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.7 m -68.25 132.2 32.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.991 0.424 . . . . 0.0 110.662 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.13 9.99 83.29 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.79 177.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.655 ' HD2' ' HB2' ' A' ' 60' ' ' LYS . 5.9 tpt180 -88.75 126.66 35.44 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 177.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 mp -77.84 126.76 38.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 178.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.437 ' SG ' HD21 ' A' ' 54' ' ' LEU . 5.7 p -121.79 153.23 38.58 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.451 -178.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.2 p -120.78 150.84 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.698 -176.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.618 ' HB2' ' HB3' ' A' ' 18' ' ' ALA . 31.1 mmmt -75.75 111.54 11.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.554 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.8 t -103.51 46.48 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.866 0.841 . . . . 0.0 109.877 -178.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -99.35 129.86 45.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.696 178.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.62 -58.64 4.84 Favored Glycine 0 N--CA 1.451 -0.354 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -174.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.7 tpt180 -169.34 -59.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 175.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -157.86 125.12 5.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.274 174.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.618 ' HB3' ' HB2' ' A' ' 12' ' ' LYS . . . -116.2 132.32 56.7 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 176.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.68 34.1 1.2 Allowed Glycine 0 CA--C 1.519 0.339 0 C-N-CA 121.287 -0.482 . . . . 0.0 113.809 -175.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.524 ' HB2' ' HG3' ' A' ' 12' ' ' LYS . 17.7 m -103.15 114.14 28.19 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 175.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.456 ' N ' ' HD2' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -104.61 143.78 32.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.353 -177.092 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.487 ' SG ' HG11 ' A' ' 44' ' ' VAL . 72.8 m -138.54 156.2 47.72 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.893 177.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 62.1 t -106.21 127.86 61.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 177.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.572 ' HA ' HG12 ' A' ' 35' ' ' VAL . 60.9 mt -69.42 118.6 14.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 178.301 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.414 HG22 ' HB3' ' A' ' 67' ' ' ALA . 66.0 t -111.25 -49.71 6.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.469 -176.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.473 ' HA ' ' HE3' ' A' ' 65' ' ' LYS . 14.8 t70 -130.89 121.81 25.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.903 0.383 . . . . 0.0 111.571 -175.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.419 ' N ' HD12 ' A' ' 27' ' ' ILE . 3.4 mp -88.62 95.11 5.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 174.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.443 HD11 ' HB2' ' A' ' 34' ' ' LEU . 43.1 mt -72.36 -52.09 25.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.512 -177.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -138.36 177.38 7.92 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.581 -175.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -72.36 -25.37 61.5 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.715 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.465 ' O ' ' HA ' ' A' ' 50' ' ' ASN . 17.5 m120 -107.24 -43.27 4.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.943 -179.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -102.07 132.29 48.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.73 0.3 . . . . 0.0 111.403 -177.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.636 HG11 HD11 ' A' ' 4' ' ' ILE . 18.1 m -134.76 167.21 26.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.704 177.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.443 ' HB2' HD11 ' A' ' 28' ' ' ILE . 4.7 tt -111.39 116.06 30.32 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.224 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.572 HG12 ' HA ' ' A' ' 24' ' ' ILE . 28.9 m -117.41 139.75 43.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.438 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.423 ' HA ' ' HB3' ' A' ' 46' ' ' ARG . 23.7 m -111.17 122.4 47.77 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.193 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -99.24 158.42 19.99 Favored Glycine 0 N--CA 1.443 -0.9 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 177.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.477 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 24.1 Cg_exo -63.96 105.37 0.55 Allowed 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.346 2.031 . . . . 0.0 111.071 177.16 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -77.97 -33.57 51.4 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.345 0.593 . . . . 0.0 110.13 -174.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -83.45 -31.79 26.39 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.678 -179.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.584 HG13 ' HE3' ' A' ' 73' ' ' LYS . 64.6 mt -87.21 -75.14 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.929 0.395 . . . . 0.0 111.293 -179.211 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.448 ' H ' ' HB2' ' A' ' 38' ' ' PRO . 2.2 m -75.45 -42.74 52.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 -175.172 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.34 11.08 20.78 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 121.164 -0.541 . . . . 0.0 111.902 -177.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.487 HG11 ' SG ' ' A' ' 22' ' ' CYS . 22.1 t -90.97 148.31 4.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.711 0.291 . . . . 0.0 110.39 -178.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -117.42 154.32 31.57 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.473 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 7.6 ppt_? -71.72 126.69 30.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.041 0.448 . . . . 0.0 110.907 179.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 54.6 mtp85 -142.21 176.45 8.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.77 -175.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -98.36 109.55 22.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.638 177.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.2 p -127.78 156.33 39.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.226 -176.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.465 ' HA ' ' O ' ' A' ' 31' ' ' ASN . 10.5 p30 -91.92 143.97 25.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.854 0.359 . . . . 0.0 110.345 178.076 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.6 mt -68.16 -17.91 22.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.085 -177.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.4 tp -69.43 -10.26 57.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.561 -175.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -128.53 18.56 6.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.986 0.422 . . . . 0.0 110.6 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.437 HD21 ' SG ' ' A' ' 10' ' ' CYS . 39.0 tp -137.92 126.68 23.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.373 -176.214 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -115.37 123.93 30.85 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 120.888 0.375 . . . . 0.0 111.715 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.445 ' HB3' ' HG2' ' A' ' 8' ' ' ARG . 22.7 Cg_exo -66.01 127.69 18.19 Favored 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 123.0 2.467 . . . . 0.0 111.006 170.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 67.0 p -79.33 -174.21 4.07 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.347 0.594 . . . . 0.0 111.376 -175.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -72.38 -26.89 62.06 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.008 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -93.91 153.42 18.24 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.344 0.593 . . . . 0.0 111.821 -174.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.655 ' HB2' ' HD2' ' A' ' 8' ' ' ARG . 26.5 tttp -153.35 154.72 35.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.937 -175.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.604 ' N ' ' HG2' ' A' ' 60' ' ' LYS . 26.9 pt -116.12 132.73 64.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 171.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -87.48 102.46 14.59 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 -176.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.437 ' CG2' ' HG2' ' A' ' 75' ' ' LYS . 34.2 pt -136.15 -178.66 2.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.738 -174.07 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.58 169.1 10.59 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 172.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.473 ' HE3' ' HA ' ' A' ' 26' ' ' ASP . 87.6 tttt -77.81 106.21 9.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.123 0.487 . . . . 0.0 110.672 -179.24 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 146.27 63.34 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.414 ' HB3' HG22 ' A' ' 25' ' ' VAL . . . -97.59 140.02 32.63 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.953 0.406 . . . . 0.0 111.138 -175.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.475 ' O ' HG23 ' A' ' 72' ' ' VAL . 43.5 p -127.34 175.92 7.82 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.348 176.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.465 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 15.5 t70 -57.31 -39.49 75.9 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.425 0.631 . . . . 0.0 109.422 177.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -63.16 -51.03 68.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.954 178.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.429 ' HB3' ' H ' ' A' ' 68' ' ' SER . 8.3 tp10 -60.89 -42.43 97.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.563 -179.324 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 68' ' ' SER . 71.6 t -59.04 -44.87 92.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.292 176.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.584 ' HE3' HG13 ' A' ' 41' ' ' ILE . 1.5 mptm? -51.91 -48.92 63.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.177 0.513 . . . . 0.0 111.107 176.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.425 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 94.4 mttt -69.38 -40.03 77.65 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.73 -175.096 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.437 ' HG2' ' CG2' ' A' ' 63' ' ' ILE . 13.7 mptt -71.98 -32.21 67.02 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.829 0.347 . . . . 0.0 111.159 177.342 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.516 HD21 ' HG3' ' A' ' 85' ' ' MET . 5.2 mp -68.44 -30.07 68.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.12 173.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 74' ' ' LYS . 33.9 mm-40 -66.52 -36.27 82.29 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.677 173.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -70.6 -49.73 44.68 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.201 179.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.1 m -90.58 -10.96 41.49 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -173.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 15.5 m120 61.01 26.87 16.79 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.058 0.456 . . . . 0.0 110.549 -177.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 33.0 tp -85.25 9.02 16.39 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.525 -176.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.1 m -61.0 -22.11 64.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.541 -178.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -68.13 -52.24 37.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.949 0.404 . . . . 0.0 110.754 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -62.22 -34.86 77.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.214 -177.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.516 ' HG3' HD21 ' A' ' 76' ' ' LEU . 98.2 mmm -77.16 -20.39 55.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.795 -175.302 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -99.37 -17.56 17.94 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.794 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -61.82 121.01 11.83 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.262 0.553 . . . . 0.0 110.387 178.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.769 ' HG3' HD12 ' A' ' 91' ' ' ILE . 34.2 ttpt -106.88 109.88 21.9 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.977 -172.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.443 HG22 ' HG2' ' A' ' 90' ' ' LYS . 3.9 mp -114.08 138.32 44.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.329 -178.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.443 ' HG2' HG22 ' A' ' 89' ' ' ILE . 29.4 mmmt 54.34 38.76 30.09 Favored 'General case' 0 N--CA 1.461 0.112 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 177.461 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.769 HD12 ' HG3' ' A' ' 88' ' ' LYS . 60.7 mt -124.08 87.77 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-O 121.526 0.679 . . . . 0.0 110.36 176.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -159.63 117.7 2.74 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.887 -1.051 . . . . 0.0 108.923 173.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.421 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 26.0 mmt -114.68 134.08 22.45 Favored Pre-proline 0 C--N 1.317 -0.828 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.492 -178.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 93' ' ' MET . 38.4 Cg_exo -59.82 97.96 0.11 Allowed 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 122.612 2.208 . . . . 0.0 110.841 175.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.7 m -121.72 143.51 49.32 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.899 -172.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.1 tt . . . . . 0 C--O 1.245 0.868 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 174.362 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.481 1.123 0 N-CA-C 110.356 -0.238 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -75.29 104.5 1.91 Allowed 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 122.457 2.105 . . . . 0.0 111.565 176.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -150.52 170.35 19.32 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.62 -178.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.419 ' N ' HD12 ' A' ' 4' ' ' ILE . 4.1 mp -99.76 99.72 9.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.006 0.432 . . . . 0.0 110.06 -178.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -117.99 153.06 34.29 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.238 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.2 m -60.6 129.61 23.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.511 0.672 . . . . 0.0 111.019 177.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.406 ' HA3' HG12 ' A' ' 63' ' ' ILE . . . 91.03 -2.11 78.78 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.734 179.502 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.5 ttt180 -91.52 119.45 31.48 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.955 0.407 . . . . 0.0 110.06 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 45.8 mt -68.54 126.66 28.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.905 -176.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.481 ' CB ' HD13 ' A' ' 54' ' ' LEU . 51.9 m -130.41 145.26 51.79 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.583 HG22 ' HG3' ' A' ' 12' ' ' LYS . 7.4 p -150.4 143.41 17.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -173.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.583 ' HG3' HG22 ' A' ' 11' ' ' VAL . 0.0 OUTLIER 48.83 173.3 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 116.223 1.935 . . . . 0.0 116.223 169.748 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.7 t -133.12 -65.61 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.219 176.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -115.05 177.68 4.56 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.77 22.6 6.47 Favored Glycine 0 C--O 1.227 -0.327 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.763 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.479 ' HA ' HG23 ' A' ' 91' ' ' ILE . 64.5 ttt180 -146.88 115.23 6.67 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.03 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 72.52 151.35 0.11 Allowed 'General case' 0 N--CA 1.468 0.441 0 O-C-N 124.201 0.938 . . . . 0.0 110.077 -174.449 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.54 95.59 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.281 -176.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -135.4 16.27 4.11 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.115 178.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.419 ' O ' HG23 ' A' ' 11' ' ' VAL . 11.9 p -111.52 150.53 29.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.684 0.278 . . . . 0.0 110.743 -177.215 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.419 ' HG2' ' HB ' ' A' ' 11' ' ' VAL . 44.1 mttp -92.27 145.44 24.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.291 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 63.9 m -140.99 153.0 45.38 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.059 177.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.8 t -122.42 122.34 65.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.556 -178.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.42 ' N ' HD12 ' A' ' 24' ' ' ILE . 3.6 mp -72.51 122.97 26.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 178.424 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.454 ' HB ' HG22 ' A' ' 36' ' ' THR . 14.9 p -106.0 -28.89 2.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.63 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -150.36 133.67 16.35 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.937 0.398 . . . . 0.0 110.562 178.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 69.0 mt -95.7 108.9 21.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.125 -179.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.1 mt -97.32 -71.4 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.346 -179.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.639 ' HB2' ' H ' ' A' ' 32' ' ' PHE . 12.0 m-20 -115.36 171.49 7.67 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 178.284 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -79.91 -14.27 58.75 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.654 0.74 . . . . 0.0 109.067 170.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.772 ' O ' ' HA ' ' A' ' 50' ' ' ASN . 17.2 m120 -94.34 -40.82 9.75 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.828 178.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.639 ' H ' ' HB2' ' A' ' 29' ' ' ASP . 98.3 m-85 -139.03 122.18 16.91 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 120.609 0.242 . . . . 0.0 111.095 -177.164 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.7 m -118.04 171.61 6.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 174.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.2 tp -95.37 115.35 27.3 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 177.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.432 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 27.3 m -114.42 148.93 16.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.64 179.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.454 HG22 ' HB ' ' A' ' 25' ' ' VAL . 12.8 t -139.74 146.85 40.05 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.028 0.442 . . . . 0.0 110.427 -179.169 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.42 147.73 17.18 Favored Glycine 0 N--CA 1.439 -1.11 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 175.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.719 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 45.6 Cg_exo -56.04 110.6 0.59 Allowed 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 122.338 2.025 . . . . 0.0 111.416 178.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -66.15 -28.11 68.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.216 -176.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -83.89 -25.42 30.22 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.024 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.719 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 65.8 mt -98.94 -63.48 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.538 -175.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.0 p -92.97 -39.23 11.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.71 0.291 . . . . 0.0 111.05 -177.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.19 63.32 3.67 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.334 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.3 p -108.15 146.89 13.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 120.86 0.362 . . . . 0.0 110.426 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.401 ' HE3' ' HB2' ' A' ' 45' ' ' LYS . 34.6 ttmt -72.71 114.12 10.5 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.759 178.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' A' ' 35' ' ' VAL . 46.1 ttp180 -79.98 108.48 13.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.711 -172.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -144.4 178.09 8.18 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -95.44 109.71 21.86 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 178.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.1 t -127.37 56.03 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 121.017 0.436 . . . . 0.0 111.632 -168.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.772 ' HA ' ' O ' ' A' ' 31' ' ' ASN . 0.9 OUTLIER 64.67 -175.97 0.17 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.762 -0.653 . . . . 0.0 112.386 175.906 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 47.1 mt -116.96 -49.71 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.815 174.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 25.6 tp -80.05 34.69 0.3 Allowed 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.603 0.716 . . . . 0.0 110.759 -176.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 -106.98 5.24 27.98 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.446 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.481 HD13 ' CB ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER -154.5 166.33 33.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.836 179.749 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -109.44 136.83 20.19 Favored Pre-proline 0 C--N 1.332 -0.187 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.634 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -74.44 137.57 23.27 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.684 2.256 . . . . 0.0 112.405 178.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 30.9 p -82.5 170.95 14.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.671 178.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -85.74 -47.28 9.91 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 121.108 -0.237 . . . . 0.0 110.904 -178.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -88.15 144.61 26.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.085 0.469 . . . . 0.0 110.42 178.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -131.34 158.49 40.57 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.733 -170.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.3 pt -112.68 106.15 20.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 167.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -80.18 107.84 13.3 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.162 0.506 . . . . 0.0 110.99 -172.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.406 HG12 ' HA3' ' A' ' 7' ' ' GLY . 34.3 pt -113.82 -173.65 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.857 177.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -93.83 161.97 14.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.878 0.37 . . . . 0.0 110.589 177.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -79.76 125.51 29.77 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.28 -176.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.79 50.4 3.33 Favored Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -174.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.429 ' HB1' ' HB3' ' A' ' 71' ' ' GLU . . . -101.52 -178.57 3.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.977 0.418 . . . . 0.0 111.25 -176.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.6 p -147.18 -169.11 3.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.683 -176.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -57.08 -42.54 80.87 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.373 0.421 . . . . 0.0 110.195 -179.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.539 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 1.6 mp0 -56.2 -52.56 63.98 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.519 179.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.429 ' HB3' ' HB1' ' A' ' 67' ' ' ALA . 3.7 tp10 -64.45 -45.95 85.25 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.944 -178.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.499 ' O ' ' HB2' ' A' ' 76' ' ' LEU . 99.6 t -60.78 -41.01 86.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.288 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.8 ttpt -66.75 -38.97 87.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.846 -178.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.539 ' HG2' ' O ' ' A' ' 70' ' ' GLU . 33.3 mmtp -58.27 -54.55 45.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.908 0.385 . . . . 0.0 110.547 177.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.406 ' HG2' HG22 ' A' ' 63' ' ' ILE . 14.3 mptt -65.39 -39.68 92.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.069 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.499 ' HB2' ' O ' ' A' ' 72' ' ' VAL . 10.4 tp -65.43 -36.42 83.88 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.608 -177.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -70.36 -44.16 68.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.098 0.475 . . . . 0.0 109.948 177.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -60.0 -42.64 94.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.704 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.3 t -86.43 -9.66 55.83 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.279 -178.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 58.46 36.95 25.66 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.728 0.775 . . . . 0.0 110.13 -178.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.43 ' HB3' HD12 ' A' ' 76' ' ' LEU . 23.0 tp -104.05 14.59 30.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.425 -174.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.44 ' HA ' ' CD2' ' A' ' 76' ' ' LEU . 6.6 m -56.95 -37.63 71.82 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.965 -176.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -61.63 -35.26 77.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.992 -177.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -61.82 -29.98 70.52 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.207 -177.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 14.5 mmt -72.9 -38.95 66.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.16 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -86.72 37.4 0.75 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.179 0.514 . . . . 0.0 110.421 -174.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -130.41 136.91 49.54 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.898 177.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -116.1 150.02 38.04 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.497 -178.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.402 ' N ' HD12 ' A' ' 89' ' ' ILE . 1.8 mp -80.36 145.53 8.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.844 -178.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.524 ' HD2' ' N ' ' A' ' 90' ' ' LYS . 11.8 mptt -90.16 96.18 10.55 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.09 -175.418 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.479 HG23 ' HA ' ' A' ' 16' ' ' ARG . 49.5 mm -72.88 99.76 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.873 178.013 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 32.8 ptt180 -78.56 133.46 37.33 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.132 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 24.6 ttt -95.21 111.07 53.63 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.6 -176.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -89.32 -177.67 1.58 Allowed 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 122.998 2.465 . . . . 0.0 112.263 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.7 p -85.12 -25.32 27.57 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.305 0.574 . . . . 0.0 110.857 178.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 37.0 tp . . . . . 0 C--O 1.252 1.185 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.183 179.435 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptm . . . . . 0 N--CA 1.481 1.111 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.624 ' HA ' ' OE2' ' A' ' 5' ' ' GLU . 18.3 Cg_exo -66.36 104.47 0.76 Allowed 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 122.258 1.972 . . . . 0.0 111.017 173.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.22 64.23 8.22 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.021 -173.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.43 ' N ' HD12 ' A' ' 4' ' ' ILE . 3.5 mp 52.48 82.06 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-O 121.806 0.812 . . . . 0.0 109.655 -175.111 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.624 ' OE2' ' HA ' ' A' ' 2' ' ' PRO . 48.1 mt-10 -120.95 144.39 48.5 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.113 -172.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.4 m -58.7 125.97 15.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.095 176.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.451 ' O ' HG12 ' A' ' 61' ' ' ILE . . . 118.7 -20.07 10.22 Favored Glycine 0 N--CA 1.44 -1.036 0 C-N-CA 120.238 -0.982 . . . . 0.0 112.728 -178.248 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.508 ' HB2' ' HB3' ' A' ' 60' ' ' LYS . 62.3 ttt180 -90.85 139.01 31.15 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 119.889 -0.724 . . . . 0.0 110.398 178.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 45.0 mt -77.54 145.97 9.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.032 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.1 p -133.39 148.02 51.8 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 174.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.557 HG13 HG13 ' A' ' 13' ' ' VAL . 15.0 p -107.5 143.97 17.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.154 0.502 . . . . 0.0 111.289 -177.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -85.1 80.91 9.08 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.557 HG13 HG13 ' A' ' 11' ' ' VAL . 13.0 m -64.25 -41.38 92.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.461 -0.79 . . . . 0.0 112.302 -174.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -82.56 42.67 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.089 0.471 . . . . 0.0 111.211 -176.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -103.98 -63.23 0.68 Allowed Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 111.704 -0.558 . . . . 0.0 111.704 176.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -178.53 -67.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 122.894 0.478 . . . . 0.0 109.774 177.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.469 ' HB3' ' HB2' ' A' ' 90' ' ' LYS . 40.0 mt-10 -104.85 -13.25 15.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.82 -178.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 64.35 53.72 1.65 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.957 175.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -111.54 -16.95 8.98 Favored Glycine 0 C--O 1.238 0.378 0 C-N-CA 120.404 -0.903 . . . . 0.0 111.783 176.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.6 m -79.75 125.0 29.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.886 0.374 . . . . 0.0 110.249 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -117.81 155.07 30.71 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.152 -177.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 75.3 m -140.58 152.97 45.91 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.854 176.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.3 t -106.95 135.5 45.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.188 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.503 ' HA ' HG12 ' A' ' 35' ' ' VAL . 53.2 mt -70.66 108.78 2.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 176.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.1 m -105.16 -25.12 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.722 -175.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -158.64 152.51 23.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.869 0.366 . . . . 0.0 110.713 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.403 HG23 HG12 ' A' ' 33' ' ' VAL . 63.9 mt -110.29 115.31 49.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 177.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 47.0 mm -86.07 -49.64 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.17 -175.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.482 ' CG ' ' H ' ' A' ' 30' ' ' ASP . 13.8 t70 -136.66 -162.85 1.33 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -175.223 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.482 ' H ' ' CG ' ' A' ' 29' ' ' ASP . 11.8 t70 -81.36 -45.24 16.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.712 0.768 . . . . 0.0 109.05 178.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.424 ' OD1' ' HB2' ' A' ' 50' ' ' ASN . 31.2 t30 -93.74 -32.31 14.06 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.576 -178.528 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.473 ' HA ' ' HA ' ' A' ' 50' ' ' ASN . 22.8 m-85 -100.39 136.65 39.95 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.577 -176.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.403 HG12 HG23 ' A' ' 27' ' ' ILE . 21.6 m -133.01 168.5 24.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.208 178.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 46.0 tp -111.91 115.48 29.04 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.247 0.546 . . . . 0.0 109.942 178.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.503 HG12 ' HA ' ' A' ' 24' ' ' ILE . 27.5 m -125.19 149.83 30.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.033 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.8 t -152.18 146.65 25.63 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.492 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -102.51 112.61 4.34 Favored Glycine 0 N--CA 1.444 -0.816 0 N-CA-C 110.231 -1.148 . . . . 0.0 110.231 174.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.404 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 48.2 Cg_exo -29.85 114.88 0.05 OUTLIER 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 124.475 3.45 . . . . 0.0 113.337 -174.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.565 ' HA ' ' HA2' ' A' ' 43' ' ' GLY . 85.2 tttt -66.91 -34.28 77.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.459 -171.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.589 ' HB3' ' HE2' ' A' ' 73' ' ' LYS . 31.9 t70 -73.09 -21.16 60.81 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.945 -178.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.404 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 59.5 mt -106.01 -70.1 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.877 -177.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -86.87 -40.68 14.65 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.965 -176.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.565 ' HA2' ' HA ' ' A' ' 39' ' ' LYS . . . 84.64 35.17 14.12 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.981 177.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.1 t -90.03 122.89 41.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.782 0.325 . . . . 0.0 110.724 -177.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -73.74 112.04 9.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.804 177.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -71.97 149.94 44.55 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.057 -175.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 47' ' ' ARG . 17.2 mtp180 -139.8 160.66 39.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.666 176.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -83.95 108.01 16.67 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 177.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 30.6 m -126.27 178.55 4.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.056 0.455 . . . . 0.0 111.624 -173.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.473 ' HA ' ' HA ' ' A' ' 32' ' ' PHE . 29.6 p-10 -116.14 168.51 10.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.9 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.3 mm -65.26 -29.97 48.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.215 -176.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.0 mp -76.98 30.45 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 -171.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -144.48 5.74 1.24 Allowed 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 178.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.8 pp -151.82 162.72 40.58 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -176.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.426 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 11.7 pt-20 -138.54 148.13 57.7 Favored Pre-proline 0 N--CA 1.451 -0.42 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.018 175.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 55' ' ' GLU . 14.2 Cg_exo -69.4 146.94 64.02 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.97 2.446 . . . . 0.0 112.77 -179.017 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.3 p -130.68 143.98 51.12 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.461 -179.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.462 ' CG ' ' H ' ' A' ' 59' ' ' LYS . 6.3 t70 55.9 -151.74 0.39 Allowed 'General case' 0 CA--C 1.536 0.417 0 O-C-N 124.054 0.846 . . . . 0.0 111.692 173.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.462 ' H ' ' CG ' ' A' ' 58' ' ' ASP . 29.5 mtmm -94.18 166.87 11.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.668 -174.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.508 ' HB3' ' HB2' ' A' ' 8' ' ' ARG . 3.4 ptmm? -103.66 154.39 19.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.983 0.421 . . . . 0.0 111.213 178.024 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.451 HG12 ' O ' ' A' ' 7' ' ' GLY . 29.8 pt -96.51 152.32 3.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 169.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -85.15 94.01 8.78 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.167 0.508 . . . . 0.0 111.703 -176.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.536 ' CG2' ' HG3' ' A' ' 75' ' ' LYS . 30.6 pt -134.58 173.47 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.486 174.261 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -121.97 172.36 8.27 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.582 178.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.403 ' HE2' ' H ' ' A' ' 27' ' ' ILE . 60.7 tttm -56.77 123.42 14.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.181 -174.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.94 47.27 1.27 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.33 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -96.07 132.63 41.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.689 -0.301 . . . . 0.0 111.049 -179.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.6 m -93.08 171.63 8.82 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.842 179.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -54.21 -50.6 66.74 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 122.726 0.41 . . . . 0.0 111.132 178.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -57.99 -44.85 87.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.804 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.585 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 5.0 tp10 -58.51 -55.81 30.19 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.638 179.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 96.3 t -59.84 -39.3 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-O 121.119 0.485 . . . . 0.0 110.634 -179.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.589 ' HE2' ' HB3' ' A' ' 40' ' ' ASP . 33.6 ttmt -56.94 -48.78 77.51 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.955 178.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.488 ' O ' ' HB3' ' A' ' 77' ' ' GLU . 9.1 tmtm? -72.65 -36.37 67.96 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.626 -176.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.585 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 74.9 mmtt -65.64 -45.7 82.01 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.803 0.335 . . . . 0.0 110.602 177.178 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 39.0 tp -63.09 -30.36 71.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.228 0.537 . . . . 0.0 110.05 177.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.488 ' HB3' ' O ' ' A' ' 74' ' ' LYS . 45.2 tt0 -63.7 -48.14 78.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.354 176.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -61.01 -49.38 77.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.205 178.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.4 m -66.71 -27.34 67.55 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 120.832 0.349 . . . . 0.0 110.888 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 65.65 52.9 1.26 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.784 178.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -117.37 22.64 12.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.888 176.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.3 m -54.93 -39.59 68.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.801 -177.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -59.52 -43.86 93.32 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.309 -178.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -65.12 -34.21 77.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.022 -177.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.71 -51.56 8.54 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.881 -176.472 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -66.31 -41.38 89.8 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.421 -175.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -71.4 128.07 34.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.444 0.64 . . . . 0.0 109.79 179.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -94.86 91.84 6.64 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.523 0.677 . . . . 0.0 110.647 -177.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.422 ' H ' HD12 ' A' ' 89' ' ' ILE . 4.7 mp -86.35 133.13 30.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.138 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.469 ' HB2' ' HB3' ' A' ' 17' ' ' GLU . 60.9 pttt -143.65 168.0 20.94 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 120.691 0.281 . . . . 0.0 110.716 -174.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 68.3 mt -121.54 126.34 74.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.743 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -150.48 146.83 26.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.067 176.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.447 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 25.9 ptt? -134.65 125.19 17.36 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-O 120.838 0.351 . . . . 0.0 110.465 178.208 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 93' ' ' MET . 6.5 Cg_exo -74.77 124.92 9.09 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.818 2.345 . . . . 0.0 111.373 174.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.6 p -112.38 123.76 50.99 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.103 0.478 . . . . 0.0 111.096 -177.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.68 ' H ' HD23 ' A' ' 96' ' ' LEU . 1.2 pt? . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.391 -0.814 . . . . 0.0 110.051 179.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.3 ttm . . . . . 0 N--CA 1.475 0.812 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.86 105.02 0.13 Allowed 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.719 2.279 . . . . 0.0 112.332 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -128.39 120.76 27.59 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.499 179.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.6 mm 58.02 88.39 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.808 178.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.535 ' OE2' ' HD2' ' A' ' 8' ' ' ARG . 0.6 OUTLIER -139.46 177.4 7.96 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.012 176.083 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.444 ' HB ' HD12 ' A' ' 63' ' ' ILE . 6.2 m -72.41 121.91 23.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.32 0.581 . . . . 0.0 111.348 -178.426 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.03 4.14 48.13 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.365 -179.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.535 ' HD2' ' OE2' ' A' ' 5' ' ' GLU . 39.6 ttt85 -83.61 121.77 27.69 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.825 0.345 . . . . 0.0 110.738 -179.409 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.777 HG13 HG22 ' A' ' 23' ' ' VAL . 3.1 mp -81.22 133.08 30.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 175.176 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.4 m -126.21 145.08 50.53 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.896 178.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.0 p -102.68 149.83 6.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.043 0.449 . . . . 0.0 110.189 -179.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -76.83 132.75 39.36 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.423 -179.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.4 t -85.48 41.77 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 122.082 0.944 . . . . 0.0 109.37 178.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.5 tttt -87.56 82.02 7.57 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 175.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.27 -112.41 4.22 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -172.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -158.44 14.42 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.936 0.398 . . . . 0.0 110.387 174.173 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -133.3 -70.03 0.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 -176.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 70.42 130.01 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.459 0 O-C-N 124.241 0.963 . . . . 0.0 112.626 175.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.83 24.34 31.73 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.462 175.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.3 m -129.02 106.48 8.91 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.004 0.431 . . . . 0.0 110.788 -178.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -103.27 144.31 31.52 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.479 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 61.8 m -139.77 152.79 46.88 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.659 0.266 . . . . 0.0 110.58 -178.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.777 HG22 HG13 ' A' ' 9' ' ' ILE . 45.4 t -112.35 132.45 61.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.53 -177.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 63.8 mt -78.89 109.82 13.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 175.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.2 t -101.87 -27.59 3.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.738 -178.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.415 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 18.2 t0 -138.78 129.98 26.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.148 0.499 . . . . 0.0 111.022 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 57.2 mt -99.56 97.98 6.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.452 -0.795 . . . . 0.0 108.884 175.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.4 HD11 ' HB2' ' A' ' 34' ' ' LEU . 24.9 mt -74.92 -57.6 6.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.62 -175.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -118.34 -177.31 3.26 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.073 176.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -76.7 -40.21 49.5 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.166 0.507 . . . . 0.0 110.105 178.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -95.19 -14.62 23.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.228 -179.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.611 ' CE2' ' HB3' ' A' ' 48' ' ' ARG . 3.2 t80 -123.91 123.37 40.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.437 -171.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.4 m -125.23 169.76 16.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.989 0.423 . . . . 0.0 111.361 -176.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.415 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . 51.3 tp -111.88 116.25 30.34 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.605 177.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 31.5 m -112.86 149.13 15.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.35 0.595 . . . . 0.0 110.996 -178.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.6 t -166.67 -177.19 3.81 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.328 -0.851 . . . . 0.0 108.761 177.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.96 167.74 30.0 Favored Glycine 0 N--CA 1.441 -1.003 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.682 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 22.8 Cg_exo -63.84 125.33 15.16 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.223 1.949 . . . . 0.0 110.63 175.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.486 ' N ' ' HD2' ' A' ' 39' ' ' LYS . 11.5 mptt -77.55 -25.51 50.15 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.216 0.531 . . . . 0.0 110.037 -176.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -83.3 -16.49 46.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.703 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.682 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 64.5 mt -108.34 -51.51 7.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.683 -178.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.5 m -112.56 -48.66 3.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.713 0.292 . . . . 0.0 111.109 -174.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.425 ' HA2' ' HA ' ' A' ' 39' ' ' LYS . . . 101.21 22.86 10.15 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.767 -179.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.445 ' O ' ' HE3' ' A' ' 39' ' ' LYS . 52.8 t -86.41 123.42 39.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.842 0.353 . . . . 0.0 110.395 178.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -79.95 179.37 7.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.678 -178.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 46' ' ' ARG . 34.4 ttm180 -89.64 126.06 35.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.74 179.175 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 47' ' ' ARG . 14.0 ptm180 -149.38 152.46 35.8 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.246 175.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.611 ' HB3' ' CE2' ' A' ' 32' ' ' PHE . 72.0 mtm180 -90.77 144.43 25.73 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 177.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.0 p -152.6 156.96 5.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.894 0.378 . . . . 0.0 110.53 -179.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.43 ' HB2' HD13 ' A' ' 52' ' ' LEU . 31.5 p30 -90.59 161.5 15.4 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.823 176.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.9 pt -83.59 5.67 2.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.011 0.434 . . . . 0.0 111.247 179.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.43 HD13 ' HB2' ' A' ' 50' ' ' ASN . 8.0 mp -85.47 -10.65 55.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.488 -174.102 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 24.0 t60 -131.81 30.76 4.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.07 0.462 . . . . 0.0 110.631 -178.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.7 mt -129.38 140.75 51.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.042 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -120.4 141.14 31.4 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.116 173.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.431 ' HB3' ' HE ' ' A' ' 8' ' ' ARG . 96.3 Cg_endo -79.43 141.16 15.7 Favored 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 122.589 2.193 . . . . 0.0 112.774 -177.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.6 p -81.68 172.83 12.95 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.403 175.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -66.86 -35.4 79.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.039 0.447 . . . . 0.0 110.956 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -120.64 145.42 47.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.562 -173.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.657 ' HA ' HD13 ' A' ' 9' ' ' ILE . 1.0 OUTLIER -141.92 -177.05 5.02 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.246 174.062 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 38.1 pt -122.78 175.58 5.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -124.2 110.72 15.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.668 0.27 . . . . 0.0 110.6 -176.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.444 HD12 ' HB ' ' A' ' 6' ' ' VAL . 2.4 pp -137.92 -179.79 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.486 177.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.535 ' NE2' ' H ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -104.62 155.39 18.89 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 175.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.535 ' H ' ' NE2' ' A' ' 64' ' ' GLN . 28.5 ttmt -59.5 136.32 57.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.047 0.451 . . . . 0.0 110.799 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.56 30.66 12.95 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.05 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.05 141.28 40.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.758 0.313 . . . . 0.0 110.729 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.8 p -84.71 172.18 11.73 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.642 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.434 ' OD2' ' HA ' ' A' ' 38' ' ' PRO . 14.6 t70 -57.05 -36.54 70.63 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.528 0.68 . . . . 0.0 109.543 175.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.553 ' O ' ' HG3' ' A' ' 74' ' ' LYS . 0.8 OUTLIER -75.11 -39.23 60.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.405 -178.649 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -65.49 -46.51 79.44 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.85 0.357 . . . . 0.0 110.505 178.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 86.2 t -61.98 -38.51 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 175.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.658 ' HG3' HD11 ' A' ' 41' ' ' ILE . 34.3 ttmt -60.12 -43.87 95.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.965 177.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.553 ' HG3' ' O ' ' A' ' 70' ' ' GLU . 67.6 mttm -56.24 -58.27 8.68 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-O 120.983 0.421 . . . . 0.0 110.565 177.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.1 mmtt -66.26 -37.37 85.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.455 -176.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.4 HD23 HD13 ' A' ' 41' ' ' ILE . 25.2 tp -62.18 -41.66 98.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.066 0.46 . . . . 0.0 109.778 178.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.62 -47.28 67.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.847 177.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -56.41 -48.9 76.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.986 -178.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.0 m -77.06 -6.03 51.14 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.841 0.311 . . . . 0.0 111.841 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.442 ' N ' HD22 ' A' ' 80' ' ' ASN . 0.9 OUTLIER 69.35 27.36 5.07 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 122.759 0.424 . . . . 0.0 111.548 177.239 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 81' ' ' LEU . 3.2 mm? -96.29 0.82 51.37 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.458 -178.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.8 m -57.6 -46.03 84.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.579 -177.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -62.33 -49.83 74.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.186 0.517 . . . . 0.0 110.424 -177.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -68.51 -28.25 66.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.414 -177.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.47 -44.52 51.15 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -70.24 -26.56 63.9 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.103 -178.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -58.59 121.59 11.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.076 -179.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.768 ' HD3' ' H ' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -106.79 159.87 15.91 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.295 -178.872 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 47.5 mm -96.59 142.37 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.044 178.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -77.85 128.46 34.02 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.377 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 62.4 mt -78.24 119.97 28.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.084 0.469 . . . . 0.0 110.479 179.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -96.98 96.44 8.5 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.452 177.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -61.18 122.59 70.93 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.84 -178.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -58.23 -36.85 97.37 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.245 2.63 . . . . 0.0 112.096 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.1 m 72.22 128.74 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.077 177.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.8 tm? . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.578 -0.725 . . . . 0.0 109.057 174.077 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.9 mtp . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -71.46 103.68 1.46 Allowed 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.305 2.003 . . . . 0.0 112.322 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -125.87 106.77 9.9 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.9 mm 60.82 87.11 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 121.605 0.717 . . . . 0.0 109.177 -169.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -147.88 142.59 26.66 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.448 -0.797 . . . . 0.0 109.886 -171.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.575 HG11 ' HG3' ' A' ' 65' ' ' LYS . 26.0 m -60.08 139.43 19.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.242 0.544 . . . . 0.0 110.717 -179.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.38 -22.69 39.42 Favored Glycine 0 N--CA 1.443 -0.881 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.276 -178.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -87.17 137.96 31.9 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.422 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.543 HG12 HG22 ' A' ' 23' ' ' VAL . 45.8 mt -75.71 145.09 11.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.09 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 72.9 m -136.91 155.6 49.55 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 176.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.675 HG21 ' HB1' ' A' ' 18' ' ' ALA . 12.2 p -133.03 151.64 34.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.832 -175.318 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.536 ' HD3' ' HB3' ' A' ' 20' ' ' SER . 12.1 mptt -64.39 125.88 26.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.323 176.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.3 t -71.45 -36.36 60.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.641 -178.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -88.23 100.0 12.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.217 0.532 . . . . 0.0 109.653 178.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 155.45 110.83 0.36 Allowed Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 -176.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.1 mtt180 -64.68 -38.34 90.68 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -171.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -83.08 -13.33 55.94 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.675 ' HB1' HG21 ' A' ' 11' ' ' VAL . . . 54.98 40.56 32.08 Favored 'General case' 0 C--O 1.232 0.133 0 O-C-N 123.838 0.711 . . . . 0.0 109.69 -174.015 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.405 ' HA2' ' O ' ' A' ' 88' ' ' LYS . . . -78.78 31.58 1.96 Allowed Glycine 0 C--N 1.333 0.376 0 CA-C-N 115.014 -0.994 . . . . 0.0 113.993 -172.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.536 ' HB3' ' HD3' ' A' ' 12' ' ' LYS . 21.0 t -148.26 92.06 1.98 Allowed 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.505 0.669 . . . . 0.0 109.675 173.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt -103.13 142.34 34.31 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.737 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 73.0 m -148.65 154.69 40.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.255 -178.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.543 HG22 HG12 ' A' ' 9' ' ' ILE . 47.5 t -104.03 140.58 21.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 178.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 56.1 mt -71.14 96.93 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 173.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.428 ' HB ' ' O ' ' A' ' 67' ' ' ALA . 32.8 m -87.26 -28.48 5.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.277 -174.475 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -163.4 152.68 14.7 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.409 -176.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.435 HG23 HG12 ' A' ' 33' ' ' VAL . 60.0 mt -103.98 117.74 50.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.024 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.571 HD11 HD12 ' A' ' 34' ' ' LEU . 49.7 mm -82.89 -58.94 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.21 0.528 . . . . 0.0 111.022 -176.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.508 ' CG ' ' H ' ' A' ' 30' ' ' ASP . 22.0 t70 -119.32 -165.25 1.13 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.153 -0.931 . . . . 0.0 108.848 -175.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.508 ' H ' ' CG ' ' A' ' 29' ' ' ASP . 21.0 t70 -89.26 -26.78 21.0 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-O 121.606 0.717 . . . . 0.0 109.298 176.68 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -105.85 -25.2 12.25 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.135 -0.938 . . . . 0.0 110.551 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.47 ' H ' ' HB3' ' A' ' 29' ' ' ASP . 95.9 m-85 -114.04 136.71 52.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.84 -174.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.435 HG12 HG23 ' A' ' 27' ' ' ILE . 26.8 m -121.71 170.99 11.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.431 176.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.571 HD12 HD11 ' A' ' 28' ' ' ILE . 4.9 tt -109.2 116.46 31.96 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.4 m -122.3 136.01 60.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.251 178.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.3 t -150.97 174.73 12.8 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.973 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -133.63 141.09 12.39 Favored Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo -47.71 133.98 21.97 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 123.715 2.943 . . . . 0.0 112.527 -176.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -56.82 -58.56 7.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.481 -171.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -72.45 -16.18 61.82 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.724 -172.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.441 HD13 HG23 ' A' ' 82' ' ' THR . 68.7 mt -98.53 -52.93 8.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.971 0.415 . . . . 0.0 111.081 -175.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.2 m -115.26 -59.34 2.02 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.519 -178.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.03 67.27 1.48 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.748 178.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.5 t -120.73 110.28 27.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 122.72 -0.282 . . . . 0.0 110.799 179.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -66.74 136.95 56.27 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 177.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.405 ' HG3' HD21 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -85.07 149.55 25.48 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.234 0.54 . . . . 0.0 112.44 -168.368 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 53.5 mtm180 -143.84 161.73 37.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.02 -0.991 . . . . 0.0 108.753 170.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 67.7 mtt85 -68.82 110.54 4.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.799 0.333 . . . . 0.0 111.157 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 56.5 t -113.78 138.97 41.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.8 p30 -88.35 158.26 18.47 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.053 0.454 . . . . 0.0 110.992 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 30.1 pt -83.74 10.38 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.999 -176.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -95.32 -32.45 12.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.904 0.383 . . . . 0.0 110.82 -179.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -107.79 21.65 17.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.087 0.47 . . . . 0.0 110.398 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 46.2 tp -132.32 127.93 36.62 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.034 -178.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.445 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 44.9 mt-10 -116.82 140.94 27.49 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 178.007 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 55' ' ' GLU . 3.7 Cg_exo -78.81 144.15 19.08 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 123.029 2.486 . . . . 0.0 113.05 -174.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.0 m -83.73 164.31 19.68 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.24 175.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -65.29 -29.35 70.1 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -175.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -88.33 146.94 25.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.142 0.496 . . . . 0.0 112.14 -173.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 67.0 tttt -147.27 131.74 17.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.186 177.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.2 pt -98.52 112.45 30.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 171.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -77.65 101.52 6.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.015 0.436 . . . . 0.0 110.765 -174.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 12.5 pt -134.7 -177.37 2.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.373 -178.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -75.11 154.84 37.62 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.718 177.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.575 ' HG3' HG11 ' A' ' 6' ' ' VAL . 28.9 ttpp -69.37 130.2 41.89 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 178.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.21 54.12 0.81 Allowed Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 110.619 -0.993 . . . . 0.0 110.619 -173.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.428 ' O ' ' HB ' ' A' ' 25' ' ' VAL . . . -76.92 113.29 14.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.04 0.448 . . . . 0.0 111.28 -176.338 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.9 m -86.76 166.44 15.25 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.415 177.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 10.0 t70 -52.35 -38.44 58.7 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.193 0.52 . . . . 0.0 110.35 176.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.552 ' HG2' ' HE3' ' A' ' 74' ' ' LYS . 22.5 tt0 -59.85 -53.03 62.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.665 177.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.0 tp10 -62.75 -47.49 83.3 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.786 -175.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 71.5 t -62.0 -38.56 81.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.452 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 69' ' ' ASP . 30.3 ttmt -64.64 -44.45 90.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.691 -177.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.552 ' HE3' ' HG2' ' A' ' 70' ' ' GLU . 99.6 mttt -60.25 -56.83 16.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.846 179.133 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.6 -29.47 65.88 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.298 -172.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.45 HD21 ' HG3' ' A' ' 85' ' ' MET . 46.7 tp -68.54 -37.42 79.96 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.104 176.249 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.74 -43.77 95.49 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 177.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -62.31 -36.72 83.01 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.278 177.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.8 t -73.59 -23.58 59.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.267 -177.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.7 m120 70.49 14.64 7.32 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 123.579 0.549 . . . . 0.0 111.393 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -95.64 17.39 14.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.119 0.485 . . . . 0.0 110.655 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.441 HG23 HD13 ' A' ' 41' ' ' ILE . 1.8 m -56.93 -43.99 82.03 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.411 -178.293 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -60.03 -38.02 81.49 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.76 -177.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -60.69 -27.43 67.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.439 -178.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.45 ' HG3' HD21 ' A' ' 76' ' ' LEU . 21.9 mmt -71.8 -45.02 62.92 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.324 -178.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -86.63 -28.96 22.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.612 0.244 . . . . 0.0 111.304 -174.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -70.6 135.93 48.82 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 176.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.405 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 63.1 mttp 59.45 85.8 0.1 Allowed 'General case' 0 C--O 1.235 0.337 0 O-C-N 123.734 0.646 . . . . 0.0 110.996 -173.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 14.6 tt -138.21 153.41 26.71 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.518 177.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.682 ' HE3' ' HA ' ' A' ' 90' ' ' LYS . 1.0 OUTLIER -91.55 91.09 7.9 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.038 -178.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.453 HD12 ' H ' ' A' ' 91' ' ' ILE . 5.0 mp -76.76 99.56 2.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -133.15 105.74 7.2 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.446 -176.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 22.7 ptt? -119.93 95.86 49.27 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-O 121.296 0.569 . . . . 0.0 110.521 177.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -79.43 -31.75 1.95 Allowed 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 123.162 2.575 . . . . 0.0 112.815 -179.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.0 m -116.82 116.8 28.16 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.741 -178.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 54.3 tp . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.484 -0.769 . . . . 0.0 109.991 179.338 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.477 0.915 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.36 104.33 0.75 Allowed 'Trans proline' 0 C--O 1.237 0.444 0 C-N-CA 122.488 2.125 . . . . 0.0 112.623 -176.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.97 106.6 12.12 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.568 173.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.49 HG23 HD13 ' A' ' 24' ' ' ILE . 86.0 mt 69.02 96.91 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-O 121.501 0.667 . . . . 0.0 110.583 -175.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -143.59 157.08 44.69 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.219 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.51 HG11 ' HG3' ' A' ' 65' ' ' LYS . 21.4 m -61.85 139.94 19.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.208 0.527 . . . . 0.0 111.55 -179.054 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.494 ' HA3' ' O ' ' A' ' 61' ' ' ILE . . . 88.5 -8.16 79.75 Favored Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.759 178.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.9 ttt180 -94.27 133.82 37.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.899 0.381 . . . . 0.0 110.145 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.709 HG13 HG22 ' A' ' 23' ' ' VAL . 4.0 mp -80.97 132.47 31.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.191 -178.513 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.8 p -118.75 154.59 32.55 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.728 176.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.0 p -110.89 144.0 19.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 120.881 0.372 . . . . 0.0 110.714 -178.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.79 ' HE2' ' HB3' ' A' ' 14' ' ' LYS . 1.8 tmtp? -72.72 102.22 3.28 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 177.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.4 p -119.6 62.3 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 122.764 1.268 . . . . 0.0 110.234 -175.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.79 ' HB3' ' HE2' ' A' ' 12' ' ' LYS . 13.2 tmtt? -128.48 -39.3 1.68 Allowed 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.112 -1.404 . . . . 0.0 109.178 174.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -93.42 -151.71 28.36 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.281 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -111.14 -16.87 13.35 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.48 0.657 . . . . 0.0 109.846 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.459 ' CD ' ' H ' ' A' ' 17' ' ' GLU . 0.6 OUTLIER -96.19 101.71 13.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.68 176.925 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -101.64 24.46 9.75 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.084 -176.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.58 22.53 20.28 Favored Glycine 0 C--N 1.319 -0.398 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.811 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.9 m -116.57 98.96 6.83 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.968 0.413 . . . . 0.0 110.319 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -95.9 128.71 43.02 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.179 174.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 34.1 m -127.78 143.02 51.15 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.054 0.454 . . . . 0.0 110.199 -179.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.709 HG22 HG13 ' A' ' 9' ' ' ILE . 47.1 t -97.71 133.31 40.09 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.922 -178.37 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.49 HD13 HG23 ' A' ' 4' ' ' ILE . 57.2 mt -73.37 99.78 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 175.087 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 62.1 t -83.65 -46.56 18.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.043 -173.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.586 ' HB2' ' HA2' ' A' ' 66' ' ' GLY . 33.2 t70 -141.97 126.2 17.51 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 -178.048 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 67.4 mt -85.7 109.82 18.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.269 175.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 40.7 mt -96.34 -59.92 2.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.315 0.578 . . . . 0.0 110.408 -176.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.536 ' HB3' ' HB2' ' A' ' 32' ' ' PHE . 16.9 t70 -110.24 -163.38 0.85 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.273 -0.876 . . . . 0.0 108.866 -178.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.485 ' H ' ' CG ' ' A' ' 29' ' ' ASP . 17.6 t70 -93.77 -33.96 13.38 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 177.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.584 ' O ' ' HA ' ' A' ' 50' ' ' ASN . 58.7 t30 -114.91 1.35 14.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.468 -179.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.536 ' HB2' ' HB3' ' A' ' 29' ' ' ASP . 62.1 m-85 -129.48 121.31 27.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.84 178.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.593 HG23 HG13 ' A' ' 35' ' ' VAL . 33.9 m -132.04 169.04 22.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 176.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.6 tt -94.56 115.62 27.8 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 176.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.593 HG13 HG23 ' A' ' 33' ' ' VAL . 16.0 m -124.7 143.54 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.583 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.0 t -172.09 -175.19 1.41 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.527 177.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.414 ' H ' ' HB ' ' A' ' 44' ' ' VAL . . . -135.7 138.85 10.26 Favored Glycine 0 N--CA 1.442 -0.921 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 178.315 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.616 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 90.8 Cg_exo -43.39 132.74 6.92 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 123.467 2.778 . . . . 0.0 112.898 -176.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.406 ' H ' ' HG3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -77.14 -8.71 57.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.046 -0.525 . . . . 0.0 112.035 -171.791 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.623 ' HB2' ' HE2' ' A' ' 73' ' ' LYS . 40.2 m-20 -103.13 -4.45 24.44 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.975 173.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.616 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 66.1 mt -121.74 -63.18 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 121.016 -0.273 . . . . 0.0 111.697 -175.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -97.33 -51.24 4.24 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.883 0.373 . . . . 0.0 111.136 -173.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.76 52.82 4.23 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.385 -178.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.414 ' HB ' ' H ' ' A' ' 37' ' ' GLY . 58.1 t -95.2 146.92 6.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 122.662 -0.317 . . . . 0.0 110.227 -179.524 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.503 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -81.91 138.4 35.02 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.008 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -80.88 116.6 20.94 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.143 -0.48 . . . . 0.0 112.026 -173.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 47' ' ' ARG . 8.7 mtt180 -148.48 150.1 32.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.037 172.187 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 71.5 mtm180 -105.78 122.07 45.34 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 175.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 20.6 m -130.99 176.74 8.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.232 -176.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.584 ' HA ' ' O ' ' A' ' 31' ' ' ASN . 13.0 m120 -77.55 127.99 33.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.31 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.465 HG13 ' HA ' ' A' ' 31' ' ' ASN . 2.8 pp -72.24 -2.95 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -174.178 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.21 -21.1 66.45 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -177.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.9 m80 -116.7 22.42 12.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.02 0.438 . . . . 0.0 110.959 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 54' ' ' LEU . 3.6 mm? -118.01 126.44 52.32 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 173.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.415 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 42.4 mt-10 -120.21 134.51 24.08 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 55' ' ' GLU . 5.9 Cg_exo -73.61 155.22 49.87 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.847 2.365 . . . . 0.0 112.911 -175.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.512 ' HB ' ' OH ' ' A' ' 84' ' ' TYR . 28.4 p -93.63 -170.87 2.46 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.831 177.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -61.35 -56.03 25.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.08 0.467 . . . . 0.0 112.116 -176.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -113.19 165.78 12.08 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.344 0.592 . . . . 0.0 112.359 -166.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -141.01 156.56 46.01 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.231 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.586 HD11 HG13 ' A' ' 72' ' ' VAL . 22.3 pt -106.57 122.41 60.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 169.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -78.98 101.2 7.65 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.121 0.486 . . . . 0.0 110.955 -172.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.9 pt -120.3 -178.13 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.633 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -85.56 149.29 25.46 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.886 177.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.51 ' HG3' HG11 ' A' ' 6' ' ' VAL . 23.4 ttpp -66.49 110.13 3.03 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.586 ' HA2' ' HB2' ' A' ' 26' ' ' ASP . . . 94.89 44.79 3.26 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.989 -178.117 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.7 174.75 10.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.073 0.463 . . . . 0.0 111.294 -179.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.8 m -106.51 167.51 9.79 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.338 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -51.49 -46.31 63.14 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.42 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -61.1 -42.1 97.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.545 -175.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -67.03 -48.68 67.6 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.86 0.362 . . . . 0.0 110.524 -178.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.586 HG13 HD11 ' A' ' 61' ' ' ILE . 84.2 t -57.82 -47.16 86.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.372 0.606 . . . . 0.0 110.245 178.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.623 ' HE2' ' HB2' ' A' ' 40' ' ' ASP . 27.3 ttmt -57.21 -49.27 76.53 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.115 178.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 30.2 tttm -65.68 -43.03 90.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.464 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.543 ' HA ' ' HE3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -59.85 -39.98 87.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.793 179.859 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 50.1 mt -60.6 -50.71 72.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.674 176.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -61.51 -50.8 71.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.855 178.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -58.95 -37.61 77.14 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.634 -1.166 . . . . 0.0 111.82 -174.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.6 m -93.48 -1.73 55.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.379 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.5 m120 63.82 27.49 14.58 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.471 -178.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 81' ' ' LEU . 3.4 mm? -89.15 12.88 14.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.023 0.44 . . . . 0.0 110.502 178.164 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.3 m -59.55 -41.62 90.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.123 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -60.78 -51.03 71.07 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 120.913 0.387 . . . . 0.0 110.973 -178.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.512 ' OH ' ' HB ' ' A' ' 57' ' ' THR . 41.1 t80 -65.33 -20.77 66.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.669 -174.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.39 -45.93 5.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.66 0.267 . . . . 0.0 110.937 -177.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -63.99 -33.12 75.0 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.088 0.47 . . . . 0.0 110.704 -178.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -63.73 136.46 57.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.098 178.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -141.3 122.94 15.16 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.724 0.297 . . . . 0.0 110.427 178.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -103.8 161.16 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.558 -176.469 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 58.51 65.73 1.21 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.105 177.157 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.417 ' N ' HD12 ' A' ' 91' ' ' ILE . 4.5 mp -86.51 122.1 38.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.947 179.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.54 ' HG2' ' HG2' ' A' ' 93' ' ' MET . 46.9 ttt180 -77.19 128.38 34.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.13 178.087 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.54 ' HG2' ' HG2' ' A' ' 92' ' ' ARG . 23.0 mmt 68.54 108.11 0.03 OUTLIER Pre-proline 0 N--CA 1.465 0.284 0 O-C-N 123.982 0.802 . . . . 0.0 111.583 -179.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -60.81 133.68 49.36 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.492 2.128 . . . . 0.0 111.782 176.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.7 m -67.7 -25.81 65.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.256 0.55 . . . . 0.0 111.096 -178.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 96.6 mt . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.258 -0.877 . . . . 0.0 109.863 178.681 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.1 ptp . . . . . 0 N--CA 1.481 1.096 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.473 ' CB ' ' HD2' ' A' ' 56' ' ' PRO . 21.3 Cg_endo -61.58 106.84 0.45 Allowed 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.693 2.262 . . . . 0.0 111.656 173.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.428 ' O ' ' HG2' ' A' ' 8' ' ' ARG . . . -118.37 137.79 52.87 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.135 -175.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.45 ' N ' HD12 ' A' ' 4' ' ' ILE . 4.1 mp -86.29 91.44 3.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.444 ' HB2' ' HB2' ' A' ' 8' ' ' ARG . 58.3 mm-40 -133.58 155.36 49.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.558 -175.362 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.9 m -76.28 125.28 35.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 174.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.69 3.67 64.23 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.929 -175.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.547 ' HD2' ' O ' ' A' ' 57' ' ' THR . 5.7 tpp180 -88.89 127.34 35.64 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.955 0.407 . . . . 0.0 110.446 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.2 mt -76.87 129.12 37.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.521 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.657 ' HA ' ' HA ' ' A' ' 56' ' ' PRO . 44.7 m -114.84 142.55 46.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.254 178.441 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.9 p -128.53 148.53 32.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.364 0.602 . . . . 0.0 110.933 -177.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.63 ' HB3' ' HB2' ' A' ' 20' ' ' SER . 22.3 tptm -92.85 121.64 34.42 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.507 -179.519 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.8 m -81.79 -5.1 8.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.296 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.513 ' H ' ' HG3' ' A' ' 12' ' ' LYS . 33.6 mmtm -135.25 100.91 4.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.028 0.442 . . . . 0.0 110.696 178.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.507 ' O ' ' HB2' ' A' ' 16' ' ' ARG . . . 143.5 55.53 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -176.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.507 ' HB2' ' O ' ' A' ' 15' ' ' GLY . 11.0 mpt_? 74.38 150.56 0.11 Allowed 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.519 0.728 . . . . 0.0 110.035 -172.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -56.2 94.5 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 O-C-N 123.386 0.429 . . . . 0.0 111.41 -178.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 54.49 31.03 13.99 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.503 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.416 ' O ' ' HA ' ' A' ' 89' ' ' ILE . . . -78.91 -11.36 85.29 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.065 -179.158 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.63 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 15.8 m -115.46 108.72 16.85 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 175.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.418 ' HE2' ' O ' ' A' ' 84' ' ' TYR . 46.8 mttp -125.72 143.22 51.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.958 179.233 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.424 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 77.4 m -148.99 155.92 41.51 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.417 HG21 HD11 ' A' ' 61' ' ' ILE . 9.4 p -117.25 134.96 59.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 120.656 0.265 . . . . 0.0 110.54 178.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 65.3 mt -73.64 109.66 6.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.339 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 63.1 t -88.66 -53.56 9.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.153 -178.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -138.96 140.3 38.22 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.362 -176.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.476 HG23 HG12 ' A' ' 33' ' ' VAL . 56.4 mt -106.17 110.62 32.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 120.925 0.393 . . . . 0.0 109.953 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.443 HD11 ' HB2' ' A' ' 34' ' ' LEU . 4.5 mp -94.98 -65.91 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.09 -178.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.787 ' HB2' ' HB2' ' A' ' 32' ' ' PHE . 5.7 m-20 -94.92 -176.64 3.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.746 179.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -71.11 -41.76 70.15 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.94 -176.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -112.91 -25.44 9.01 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.816 0.341 . . . . 0.0 110.816 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.787 ' HB2' ' HB2' ' A' ' 29' ' ' ASP . 65.7 m-85 -84.05 105.11 14.66 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.213 0.53 . . . . 0.0 111.285 178.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.476 HG12 HG23 ' A' ' 27' ' ' ILE . 31.6 m -111.32 161.75 9.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.372 178.476 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.443 ' HB2' HD11 ' A' ' 28' ' ' ILE . 6.3 tt -98.05 116.79 30.99 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 177.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.424 ' HB ' ' HB3' ' A' ' 22' ' ' CYS . 35.4 m -118.17 160.75 17.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.255 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.6 t -145.23 148.43 33.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.983 0.42 . . . . 0.0 110.392 177.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -107.4 102.11 1.77 Allowed Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 109.925 -1.27 . . . . 0.0 109.925 171.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.675 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 56.8 Cg_exo -36.45 123.97 0.35 Allowed 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 124.455 3.437 . . . . 0.0 113.971 -171.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.3 tptt -54.22 -47.92 71.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.463 -0.789 . . . . 0.0 112.435 -173.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -86.93 -0.43 56.53 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -174.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.675 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 4.6 mp -122.08 -69.52 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.272 -175.189 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.8 m -84.53 -37.16 21.6 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.872 0.368 . . . . 0.0 110.56 -177.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.4 44.78 57.74 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.941 176.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.402 ' HB ' ' H ' ' A' ' 45' ' ' LYS . 27.9 t -104.4 -95.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 O-C-N 122.701 -0.294 . . . . 0.0 110.261 178.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.413 ' HG3' ' H ' ' A' ' 46' ' ' ARG . 13.7 tptm 174.8 179.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 -178.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.413 ' H ' ' HG3' ' A' ' 45' ' ' LYS . 22.9 ptt180 -118.34 145.82 44.83 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 176.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -172.47 172.36 4.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 123.211 0.319 . . . . 0.0 110.326 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.0 mtm180 -94.17 142.9 26.88 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 172.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.1 p -150.56 145.92 16.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 120.956 0.408 . . . . 0.0 110.543 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -86.86 109.05 19.04 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.363 0.601 . . . . 0.0 110.029 175.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.5 pt -78.21 82.27 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.627 0.727 . . . . 0.0 110.696 -178.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 44.6 tp -106.85 -31.96 8.14 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.227 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 46.3 m-70 -122.14 21.95 10.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.992 0.425 . . . . 0.0 111.019 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.2 mp -117.45 135.27 54.02 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.486 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 44.0 mt-10 -117.13 121.08 32.89 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-O 120.967 0.413 . . . . 0.0 111.16 -176.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.657 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 17.5 Cg_exo -68.61 151.59 74.99 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 123.374 2.716 . . . . 0.0 112.988 176.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.547 ' O ' ' HD2' ' A' ' 8' ' ' ARG . 37.5 p -85.41 178.12 7.55 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.602 177.016 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -85.56 -17.76 35.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.797 0.332 . . . . 0.0 110.594 178.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -85.23 144.97 27.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.073 0.463 . . . . 0.0 110.467 175.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.98 157.48 44.51 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.999 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.443 HG13 HG12 ' A' ' 63' ' ' ILE . 26.2 pt -96.46 143.22 12.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 172.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -86.09 46.57 1.34 Allowed 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.132 0.492 . . . . 0.0 111.688 -168.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.465 HD12 ' HB3' ' A' ' 67' ' ' ALA . 48.0 pt -89.74 -172.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.372 177.029 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -122.37 178.25 5.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.798 0.333 . . . . 0.0 111.066 -179.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -69.6 108.81 4.0 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.416 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.34 44.71 3.42 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.142 -178.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.465 ' HB3' HD12 ' A' ' 63' ' ' ILE . . . -93.58 125.97 38.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.68 0.276 . . . . 0.0 110.363 177.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.9 p -67.41 166.8 13.83 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.722 -176.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.433 ' OD2' ' HA ' ' A' ' 38' ' ' PRO . 10.3 t70 -59.69 -30.66 68.93 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.3 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -58.24 -47.49 83.38 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.368 176.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -68.07 -42.71 80.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.473 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.402 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 57.8 t -61.64 -46.76 95.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.506 178.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -56.87 -49.09 76.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.848 177.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.92 -51.25 70.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.444 178.47 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.467 ' HD2' ' HA ' ' A' ' 75' ' ' LYS . 32.5 tptt -64.71 -36.76 85.31 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.307 -175.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.411 HD11 ' HG2' ' A' ' 38' ' ' PRO . 32.7 mt -60.57 -40.49 91.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.349 . . . . 0.0 110.762 177.071 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -72.61 -50.89 22.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.926 176.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -59.69 -50.36 74.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.336 -175.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.1 m -84.03 -5.77 59.29 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.979 -175.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 18.6 m120 65.41 48.53 2.06 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.043 0.449 . . . . 0.0 111.249 177.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -122.51 17.41 10.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.713 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.5 t -77.15 -39.21 49.99 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -172.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -55.84 -47.03 77.96 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.738 -176.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.418 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 65.8 t80 -61.53 -31.93 71.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.432 -176.283 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.8 mmt -77.71 -20.81 52.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.73 0.3 . . . . 0.0 111.595 -178.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -100.12 -33.91 10.27 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.139 -174.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -71.97 123.4 22.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.854 0.359 . . . . 0.0 111.356 -178.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 71.19 113.8 0.05 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.888 173.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.416 ' HA ' ' O ' ' A' ' 19' ' ' GLY . 18.4 tt -139.61 164.48 23.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.483 -177.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.483 ' HG3' ' HD3' ' A' ' 16' ' ' ARG . 39.6 ttpt -66.97 121.67 16.05 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 -178.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.8 mp -59.18 121.71 7.48 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.751 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 43.0 ttt180 -146.35 100.3 3.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.324 -178.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 45.7 ttm -75.5 121.39 85.05 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 174.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -65.25 107.32 0.95 Allowed 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.378 2.052 . . . . 0.0 111.07 176.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.1 p -85.25 88.55 7.5 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.122 0.486 . . . . 0.0 110.785 -178.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 33.2 tp . . . . . 0 C--O 1.247 0.926 0 CA-C-O 118.282 -0.866 . . . . 0.0 109.671 -177.992 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.483 1.219 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -64.8 103.51 0.48 Allowed 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.195 1.93 . . . . 0.0 111.042 174.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -151.09 149.05 29.05 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.949 -177.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.429 HG23 HD13 ' A' ' 24' ' ' ILE . 47.0 mm 58.29 76.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.655 0.74 . . . . 0.0 109.024 -173.376 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -119.61 150.13 40.81 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.466 -172.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.42 HG11 ' HG2' ' A' ' 65' ' ' LYS . 16.4 m -69.49 115.98 9.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.523 0.678 . . . . 0.0 110.139 175.468 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.49 13.33 41.73 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.393 -0.908 . . . . 0.0 112.671 -178.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -105.88 120.03 40.7 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 174.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.4 mt -69.01 137.0 25.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.55 -174.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 23.3 m -134.16 124.72 26.53 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.382 0.61 . . . . 0.0 110.282 176.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.4 p -88.61 151.84 3.44 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.94 -175.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.587 ' HE2' ' N ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -83.96 104.22 13.85 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.755 -179.405 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.4 HG13 ' HD2' ' A' ' 14' ' ' LYS . 9.3 p -66.79 -23.3 30.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.154 0.502 . . . . 0.0 110.394 178.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.655 ' HG2' ' HD2' ' A' ' 53' ' ' HIS . 0.6 OUTLIER -88.71 12.3 15.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.478 176.425 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -99.23 110.72 4.05 Favored Glycine 0 N--CA 1.445 -0.75 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 174.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.9 mtp-105 -63.6 -25.02 68.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.829 0.347 . . . . 0.0 111.564 -172.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -81.66 -19.92 40.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.497 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 57.57 26.39 12.74 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.502 -177.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -113.28 -11.88 12.84 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.465 -0.788 . . . . 0.0 111.427 178.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.437 ' HB2' ' HD2' ' A' ' 12' ' ' LYS . 1.3 p -71.39 100.23 2.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.339 0.59 . . . . 0.0 110.836 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -107.59 141.72 38.62 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.595 -177.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.467 ' SG ' ' HE3' ' A' ' 12' ' ' LYS . 73.4 m -148.95 156.74 42.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.021 178.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.4 p -119.69 143.5 31.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.333 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.429 HD13 HG23 ' A' ' 4' ' ' ILE . 65.3 mt -78.98 118.77 26.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 176.484 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.8 m -107.86 -28.64 2.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.914 -177.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -153.79 142.81 21.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.873 0.368 . . . . 0.0 110.736 -178.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.491 HG23 HG12 ' A' ' 33' ' ' VAL . 48.6 mt -102.5 109.13 25.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 178.115 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.551 HG13 ' HD3' ' A' ' 48' ' ' ARG . 40.6 mm -78.4 -64.29 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.105 0.479 . . . . 0.0 110.909 -176.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.438 ' HB3' ' H ' ' A' ' 32' ' ' PHE . 8.3 t70 -108.11 -159.41 0.69 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 -177.383 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -80.75 -32.71 35.51 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.43 0.633 . . . . 0.0 109.354 176.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -114.86 -37.32 4.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.755 178.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.438 ' H ' ' HB3' ' A' ' 29' ' ' ASP . 55.1 m-85 -72.24 104.59 3.73 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-O 121.097 0.475 . . . . 0.0 111.308 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.491 HG12 HG23 ' A' ' 27' ' ' ILE . 28.2 m -108.03 154.05 9.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.17 176.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.49 HD11 ' HD2' ' A' ' 46' ' ' ARG . 1.8 tm? -96.42 115.79 28.0 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 29.6 m -122.71 147.0 27.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.241 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.532 ' HB ' ' HB3' ' A' ' 46' ' ' ARG . 9.1 t -149.35 153.9 38.13 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.727 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.518 ' HA3' ' HB ' ' A' ' 44' ' ' VAL . . . -104.68 111.28 3.75 Favored Glycine 0 N--CA 1.441 -1.009 0 N-CA-C 110.441 -1.063 . . . . 0.0 110.441 172.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.924 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 74.7 Cg_exo -24.23 114.62 0.03 OUTLIER 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 125.263 3.976 . . . . 0.0 114.605 -173.694 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -48.14 -54.23 14.02 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 114.827 -1.079 . . . . 0.0 112.25 -173.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -102.38 28.35 6.01 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.508 0.67 . . . . 0.0 111.168 -175.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.924 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 69.1 mt -121.92 -53.9 3.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 172.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.663 HG23 ' H ' ' A' ' 43' ' ' GLY . 1.8 t -115.54 -67.89 0.96 Allowed 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 172.054 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.663 ' H ' HG23 ' A' ' 42' ' ' THR . . . 118.69 63.92 0.29 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.527 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.518 ' HB ' ' HA3' ' A' ' 37' ' ' GLY . 60.8 t -121.18 111.01 29.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 179.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -52.14 130.92 31.54 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.167 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.532 ' HB3' ' HB ' ' A' ' 36' ' ' THR . 27.3 ptt180 -71.84 134.11 45.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.186 -176.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 46.4 mtm180 -141.42 170.49 15.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.608 178.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.551 ' HD3' HG13 ' A' ' 28' ' ' ILE . 43.0 mtm180 -102.18 131.28 48.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.5 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 32' ' ' PHE . 7.1 p -129.65 142.03 44.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.975 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -88.45 31.0 0.84 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.637 -175.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 64.6 mt 59.1 91.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.547 0.689 . . . . 0.0 110.888 -175.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.1 tt -173.61 -42.11 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.279 -176.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.655 ' HD2' ' HG2' ' A' ' 14' ' ' LYS . 32.3 m170 -89.52 13.07 14.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.492 -177.32 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -153.63 154.01 33.38 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.703 0.287 . . . . 0.0 111.357 -176.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -127.94 141.51 41.42 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.086 173.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -59.76 129.06 29.08 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.57 2.18 . . . . 0.0 111.47 175.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.3 m -98.96 163.18 12.7 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 -174.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -56.45 -32.85 65.32 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.118 -0.946 . . . . 0.0 112.724 -176.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.509 ' N ' ' HD2' ' A' ' 59' ' ' LYS . 3.6 mptp? -93.28 135.84 34.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.301 0.572 . . . . 0.0 111.798 -172.229 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.766 ' HE2' ' HB2' ' A' ' 62' ' ' ASP . 81.9 tttt -139.61 125.55 19.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.874 178.341 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.436 HG21 HD23 ' A' ' 76' ' ' LEU . 12.7 pt -92.92 -31.05 4.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.767 0.318 . . . . 0.0 110.648 177.418 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.766 ' HB2' ' HE2' ' A' ' 60' ' ' LYS . 33.2 t70 64.52 112.98 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.854 -1.066 . . . . 0.0 111.592 178.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.789 HG22 ' HG2' ' A' ' 75' ' ' LYS . 22.5 pt -128.47 -179.32 2.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.985 -176.162 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -92.07 168.77 11.14 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.668 174.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' A' ' 66' ' ' GLY . 0.1 OUTLIER -85.62 132.44 34.17 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.477 ' N ' ' HD2' ' A' ' 65' ' ' LYS . . . 114.38 36.64 1.3 Allowed Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 -173.323 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.452 ' HB2' HD12 ' A' ' 63' ' ' ILE . . . -87.16 145.83 26.26 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.421 0.629 . . . . 0.0 112.181 -171.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.466 ' H ' ' HB3' ' A' ' 71' ' ' GLU . 57.8 p -126.81 -174.04 3.04 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.427 175.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -63.59 -25.44 68.23 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.315 0.578 . . . . 0.0 109.682 174.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -71.33 -52.9 16.23 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.404 176.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.466 ' HB3' ' H ' ' A' ' 68' ' ' SER . 5.1 tp10 -58.94 -47.98 83.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.697 -177.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.448 HG11 ' HG3' ' A' ' 38' ' ' PRO . 64.5 t -60.49 -43.51 94.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.767 0.318 . . . . 0.0 110.553 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -68.71 -37.77 79.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.108 0.48 . . . . 0.0 110.066 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -56.7 -53.8 53.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.754 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.789 ' HG2' HG22 ' A' ' 63' ' ' ILE . 14.1 mptt -65.83 -39.51 90.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.439 -179.17 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.436 HD23 HG21 ' A' ' 61' ' ' ILE . 69.4 mt -64.19 -42.74 96.52 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.63 0.253 . . . . 0.0 110.752 177.48 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -64.44 -47.28 79.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.62 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -57.93 -35.77 71.55 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.945 -179.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.5 t -94.1 -1.39 54.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.171 -179.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.5 t30 55.96 37.53 28.96 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.37 0.605 . . . . 0.0 110.128 -177.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.5 3.37 21.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.021 -176.067 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.5 m -59.14 -31.48 69.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.085 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 87' ' ' GLU . 32.2 tt0 -54.47 -51.02 66.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.366 -179.191 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -63.32 -32.45 73.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.593 -175.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 13.5 tpt -76.2 -26.72 56.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.132 0.492 . . . . 0.0 110.308 -178.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -98.6 -0.65 42.67 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.78 -178.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -87.96 162.34 16.92 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.728 -174.559 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.411 ' O ' ' HD2' ' A' ' 90' ' ' LYS . 45.6 mtpt 64.74 -165.12 0.24 Allowed 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.801 0.84 . . . . 0.0 110.883 -176.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.588 ' H ' HD12 ' A' ' 89' ' ' ILE . 4.8 mp -67.45 127.18 28.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.091 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.45 ' HD3' ' H ' ' A' ' 90' ' ' LYS . 0.1 OUTLIER -138.89 142.54 38.55 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.904 -176.044 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.443 ' N ' HD12 ' A' ' 91' ' ' ILE . 4.3 mp -84.73 96.97 4.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.86 -176.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.485 ' HD2' ' O ' ' A' ' 42' ' ' THR . 21.9 tpt180 -98.7 58.92 1.22 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.538 0.685 . . . . 0.0 109.384 177.228 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.413 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 16.2 tpt -101.79 120.08 55.18 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.295 -176.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 93' ' ' MET . 15.9 Cg_exo -68.25 92.0 0.39 Allowed 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.741 2.294 . . . . 0.0 111.572 177.164 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.0 t -154.82 154.45 32.76 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.135 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 C--O 1.252 1.213 0 CA-C-O 117.897 -1.049 . . . . 0.0 108.792 175.839 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.4 mtt . . . . . 0 N--CA 1.481 1.12 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -65.99 103.46 0.61 Allowed 'Trans proline' 0 N--CA 1.461 -0.382 0 C-N-CA 122.451 2.101 . . . . 0.0 112.124 -179.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.422 ' O ' ' HB ' ' A' ' 4' ' ' ILE . . . -124.43 100.75 6.82 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 176.42 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.422 ' HB ' ' O ' ' A' ' 3' ' ' ALA . 43.8 mm 70.05 96.93 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.106 -173.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -152.13 169.51 22.24 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 -178.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.557 HG11 ' HA ' ' A' ' 65' ' ' LYS . 34.3 m -54.77 145.59 4.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.475 0.655 . . . . 0.0 112.163 -176.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.444 ' HA2' HG12 ' A' ' 63' ' ' ILE . . . 99.63 -23.2 37.11 Favored Glycine 0 N--CA 1.443 -0.856 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.915 175.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -100.37 138.88 36.84 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 117.414 0.607 . . . . 0.0 110.091 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.471 HG13 HG22 ' A' ' 23' ' ' VAL . 4.1 mp -86.42 142.32 13.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.243 -177.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 56' ' ' PRO . 7.5 p -126.61 144.88 50.76 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.99 0.424 . . . . 0.0 110.147 176.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -116.76 138.53 47.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.434 0.635 . . . . 0.0 110.775 -179.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.494 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 57.1 mtpt -72.26 138.53 47.52 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.452 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.8 m -106.34 30.4 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.847 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.704 ' HB3' ' HB2' ' A' ' 18' ' ' ALA . 13.4 tmtt? -55.4 99.77 0.03 OUTLIER 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.965 176.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.34 -97.6 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -172.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.0 ttp-105 -161.37 26.05 0.13 Allowed 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 172.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -117.06 5.33 12.79 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 114.872 -1.058 . . . . 0.0 111.204 -171.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.704 ' HB2' ' HB3' ' A' ' 14' ' ' LYS . . . -89.21 102.84 15.49 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.031 0.443 . . . . 0.0 111.148 -174.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.91 ' HA2' HD13 ' A' ' 89' ' ' ILE . . . -98.02 6.38 61.98 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.063 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.506 ' HB3' HG13 ' A' ' 44' ' ' VAL . 37.9 m -86.46 96.84 10.18 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.096 0.474 . . . . 0.0 110.834 -177.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm -81.54 128.76 34.25 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.186 176.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.461 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 18.2 m -116.72 148.24 41.27 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.811 0.339 . . . . 0.0 110.734 -175.096 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.471 HG22 HG13 ' A' ' 9' ' ' ILE . 47.7 t -106.19 130.0 58.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.168 177.48 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.444 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 46.2 mt -73.53 117.31 17.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 176.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.401 ' CG1' HG21 ' A' ' 72' ' ' VAL . 35.9 m -119.36 -22.01 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -175.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.536 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 27.0 t70 -155.41 139.08 16.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.821 0.343 . . . . 0.0 111.302 -176.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.3 mp -116.45 112.29 38.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.843 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.435 ' N ' HD12 ' A' ' 28' ' ' ILE . 4.0 mp -85.73 -57.63 4.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.715 -175.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.49 ' CG ' ' H ' ' A' ' 30' ' ' ASP . 11.7 t70 -128.97 -161.35 1.1 Allowed 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 -176.252 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.49 ' H ' ' CG ' ' A' ' 29' ' ' ASP . 38.5 t70 -83.28 -28.49 29.08 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.284 0.564 . . . . 0.0 110.009 -178.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.473 ' O ' ' HA ' ' A' ' 50' ' ' ASN . 14.5 m120 -108.51 -31.55 7.75 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.421 176.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -92.24 120.4 32.77 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.049 -172.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.24 164.56 34.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.019 -178.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.536 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . 62.0 tp -117.01 116.93 28.32 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.06 0.457 . . . . 0.0 110.286 178.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.461 ' HB ' ' HB3' ' A' ' 22' ' ' CYS . 22.7 m -121.1 146.41 26.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.681 176.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.1 t -138.64 143.93 39.46 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.133 0.492 . . . . 0.0 110.795 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.517 ' HA3' ' HB ' ' A' ' 44' ' ' VAL . . . -113.11 103.8 1.45 Allowed Glycine 0 N--CA 1.442 -0.951 0 N-CA-C 110.134 -1.186 . . . . 0.0 110.134 172.258 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -26.44 112.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 125.26 3.973 . . . . 0.0 114.256 -171.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.499 ' HA ' ' HA2' ' A' ' 43' ' ' GLY . 15.5 ptpt -66.28 -23.33 66.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.815 -177.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -77.3 -29.27 53.62 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.781 -179.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.404 HD13 HG23 ' A' ' 82' ' ' THR . 59.9 mt -105.82 -74.79 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.395 -177.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.8 m -83.37 -46.15 12.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.522 -173.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.499 ' HA2' ' HA ' ' A' ' 39' ' ' LYS . . . 80.51 58.66 2.67 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.356 -0.926 . . . . 0.0 111.787 -177.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.517 ' HB ' ' HA3' ' A' ' 37' ' ' GLY . 90.6 t -91.53 138.19 20.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 179.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -62.61 97.59 0.1 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.428 HH12 ' HB2' ' A' ' 69' ' ' ASP . 10.0 ptm180 -84.1 144.55 28.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.489 -176.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.418 HH11 HG12 ' A' ' 49' ' ' VAL . 45.1 ttt-85 -172.54 151.33 2.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.46 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.42 ' HG3' HD13 ' A' ' 34' ' ' LEU . 97.9 mtt180 -72.04 116.75 12.82 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 171.137 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.418 HG12 HH11 ' A' ' 47' ' ' ARG . 31.5 m -128.47 -178.97 2.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 120.89 0.376 . . . . 0.0 111.173 -174.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.473 ' HA ' ' O ' ' A' ' 31' ' ' ASN . 21.4 p-10 -105.56 145.46 30.92 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.243 177.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.9 tt -76.99 87.29 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.968 0.89 . . . . 0.0 109.891 177.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.3 tp -118.78 -57.73 2.02 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.571 -178.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -124.29 62.93 1.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.306 0.574 . . . . 0.0 111.482 -174.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.1 pp -150.17 147.44 27.73 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.04 173.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -126.12 142.3 42.17 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-O 120.888 0.375 . . . . 0.0 110.007 176.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.451 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 73.8 Cg_endo -75.58 145.81 29.94 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.739 2.293 . . . . 0.0 113.228 -175.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.3 m -86.81 160.08 18.89 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.557 177.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -62.12 -44.25 97.06 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -175.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.418 ' N ' ' HD2' ' A' ' 59' ' ' LYS . 2.6 mptp? -76.39 155.82 33.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.252 0.549 . . . . 0.0 111.632 -170.14 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.485 ' HE2' ' HA ' ' A' ' 62' ' ' ASP . 85.9 tttt -137.91 126.98 24.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.479 178.038 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.4 pt -79.34 -20.87 12.48 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.309 0 CA-C-O 121.342 0.592 . . . . 0.0 110.555 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.485 ' HA ' ' HE2' ' A' ' 60' ' ' LYS . 21.5 t70 66.36 97.79 0.05 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 113.995 -1.457 . . . . 0.0 112.223 175.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.685 HG22 ' HG3' ' A' ' 75' ' ' LYS . 37.0 pt -129.51 170.93 17.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 114.745 -1.116 . . . . 0.0 108.431 174.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -91.77 154.99 18.57 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.231 0.539 . . . . 0.0 110.57 179.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.557 ' HA ' HG11 ' A' ' 6' ' ' VAL . 20.7 ttpt -71.28 103.3 2.8 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.975 -172.331 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.38 48.02 0.62 Allowed Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.498 -176.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -95.4 -173.96 3.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.882 0.373 . . . . 0.0 111.161 -176.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.495 ' O ' HG23 ' A' ' 72' ' ' VAL . 6.7 m -115.65 153.98 30.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.227 -179.456 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.428 ' HB2' HH12 ' A' ' 46' ' ' ARG . 14.8 t70 -59.55 -43.17 93.63 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.302 0.572 . . . . 0.0 109.941 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -53.25 -51.16 63.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.793 174.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -63.52 -38.71 92.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.588 -1.187 . . . . 0.0 111.073 -176.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 68' ' ' SER . 87.3 t -62.02 -41.54 91.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.564 177.317 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt -64.43 -38.96 92.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.836 178.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.427 ' O ' ' HG3' ' A' ' 78' ' ' GLU . 93.4 mttt -67.08 -36.89 82.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.845 177.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.685 ' HG3' HG22 ' A' ' 63' ' ' ILE . 60.0 mmtt -64.15 -31.15 72.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.77 0.319 . . . . 0.0 111.102 174.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 92.9 mt -68.86 -38.78 79.96 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 173.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -64.86 -47.86 76.37 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.248 177.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 74' ' ' LYS . 66.5 mt-10 -61.4 -34.5 75.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.392 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.0 t -88.76 -3.7 58.7 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.065 179.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 59.17 30.79 20.63 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.508 0.671 . . . . 0.0 110.55 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.4 tp -94.9 12.74 27.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.52 -174.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.404 HG23 HD13 ' A' ' 41' ' ' ILE . 15.9 m -55.77 -47.92 76.2 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.175 -176.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -62.55 -48.73 78.22 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 121.236 0.541 . . . . 0.0 111.025 -177.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -63.56 -22.83 67.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.205 -176.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.88 -24.93 35.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.742 0.306 . . . . 0.0 110.619 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -71.01 -35.85 72.21 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-O 121.047 0.451 . . . . 0.0 110.812 178.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -61.76 127.31 30.81 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.505 -0.77 . . . . 0.0 112.072 -174.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -109.8 167.86 9.84 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.216 -178.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.91 HD13 ' HA2' ' A' ' 19' ' ' GLY . 2.2 mp -75.08 136.67 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 171.214 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -107.56 107.84 18.86 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.392 -170.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.443 ' N ' HD12 ' A' ' 91' ' ' ILE . 4.3 mp -86.53 107.48 16.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.68 177.635 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -103.08 154.17 19.55 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.489 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.449 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 26.8 ptt? -110.65 143.33 27.98 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.126 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 93' ' ' MET . 17.7 Cg_exo -66.88 109.79 1.77 Allowed 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.506 2.138 . . . . 0.0 111.063 174.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.4 p -73.24 106.5 5.1 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.487 0.66 . . . . 0.0 111.52 -177.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 83.8 mt . . . . . 0 C--O 1.247 0.944 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.155 179.976 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 mpp? . . . . . 0 N--CA 1.482 1.136 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -70.98 113.84 3.7 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.799 2.332 . . . . 0.0 112.052 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.79 99.72 9.86 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.909 177.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.3 mp 68.53 111.29 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 121.646 0.736 . . . . 0.0 110.505 -177.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.414 ' HG2' ' HB2' ' A' ' 8' ' ' ARG . 14.4 pt-20 -144.1 170.41 16.0 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.833 -178.281 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.9 m -80.48 114.18 21.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.574 0.702 . . . . 0.0 110.003 175.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.19 7.96 32.0 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.28 -177.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.414 ' HB2' ' HG2' ' A' ' 5' ' ' GLU . 13.4 tpt180 -84.19 103.01 13.04 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 177.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.538 HG12 HG22 ' A' ' 23' ' ' VAL . 55.4 mt -71.27 117.82 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.287 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.441 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . 44.6 m -115.75 142.51 46.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.736 -176.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.7 p -90.41 149.35 4.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.411 -178.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.492 ' HB2' ' O ' ' A' ' 20' ' ' SER . 1.9 tppp? -84.97 54.46 3.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.57 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.634 HG13 ' HG2' ' A' ' 14' ' ' LYS . 7.2 p -56.53 -40.14 66.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.604 -0.726 . . . . 0.0 112.031 -172.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.634 ' HG2' HG13 ' A' ' 13' ' ' VAL . 73.7 mmtt -105.74 83.26 1.9 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.15 0.5 . . . . 0.0 110.307 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -160.44 -92.82 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.796 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.2 mtt180 -130.89 -84.09 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.734 0.302 . . . . 0.0 110.89 178.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -95.72 -10.69 28.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.986 -176.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.483 ' O ' ' HB ' ' A' ' 89' ' ' ILE . . . 62.25 23.85 14.15 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.536 0.684 . . . . 0.0 110.274 -172.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.469 ' CA ' ' HB2' ' A' ' 88' ' ' LYS . . . -89.44 -38.78 6.54 Favored Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.069 -0.969 . . . . 0.0 112.696 -177.121 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.492 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 3.4 p -76.66 90.4 3.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.429 0.633 . . . . 0.0 111.2 -179.107 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -80.08 149.09 30.77 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.123 179.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.453 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 57.9 m -133.06 147.32 52.19 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.0 0.429 . . . . 0.0 109.945 -179.49 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.538 HG22 HG12 ' A' ' 9' ' ' ILE . 46.7 t -110.01 129.5 64.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.639 -179.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.575 ' HA ' HG12 ' A' ' 35' ' ' VAL . 57.6 mt -68.46 103.44 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 174.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.439 HG21 HG22 ' A' ' 36' ' ' THR . 92.4 t -104.16 -34.8 3.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.346 -173.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.516 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 3.7 t70 -142.79 165.3 27.77 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.886 0.374 . . . . 0.0 110.257 -178.391 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.2 mm -124.36 110.86 26.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.109 -174.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.455 HG21 ' NH2' ' A' ' 48' ' ' ARG . 43.7 mm -80.72 -59.03 3.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 177.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.523 ' OD2' ' HB2' ' A' ' 32' ' ' PHE . 3.7 p30 -137.99 -167.24 2.11 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 170.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -82.32 -11.57 58.52 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.786 0.327 . . . . 0.0 111.775 -171.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -115.76 -49.06 2.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.934 0.397 . . . . 0.0 110.399 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.523 ' HB2' ' OD2' ' A' ' 29' ' ' ASP . 36.2 m-85 -88.3 113.06 23.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.947 176.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.0 m -108.94 164.23 5.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 -178.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.516 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . 52.5 tp -103.17 114.5 28.84 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.575 HG12 ' HA ' ' A' ' 24' ' ' ILE . 27.0 m -120.0 147.73 23.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.334 178.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.439 HG22 HG21 ' A' ' 25' ' ' VAL . 9.0 t -140.95 140.3 34.4 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.147 0.499 . . . . 0.0 110.821 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.553 ' HA3' ' HB ' ' A' ' 44' ' ' VAL . . . -101.56 110.75 3.92 Favored Glycine 0 N--CA 1.439 -1.106 0 N-CA-C 110.071 -1.212 . . . . 0.0 110.071 171.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.649 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 61.3 Cg_exo -37.29 123.08 0.44 Allowed 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 123.956 3.104 . . . . 0.0 113.042 -175.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.645 ' HA ' ' HA2' ' A' ' 43' ' ' GLY . 21.8 ptmt -58.44 -26.67 63.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.438 -171.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -89.99 -44.46 9.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.213 0.53 . . . . 0.0 110.598 178.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.649 ' HB ' ' HB2' ' A' ' 38' ' ' PRO . 72.2 mt -70.87 -53.38 22.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.721 -173.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.0 p -124.19 -38.06 2.49 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.894 0.378 . . . . 0.0 111.644 -177.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.645 ' HA2' ' HA ' ' A' ' 39' ' ' LYS . . . 77.36 40.84 22.58 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.897 177.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.553 ' HB ' ' HA3' ' A' ' 37' ' ' GLY . 23.3 t -90.34 -23.12 6.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.004 0.431 . . . . 0.0 110.345 179.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 36' ' ' THR . 56.5 mttp 69.35 -178.66 0.22 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.982 -179.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 46' ' ' ARG . 8.6 ptp85 -98.17 144.68 27.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.906 -177.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -173.5 166.09 4.65 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.034 176.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.455 ' NH2' HG21 ' A' ' 28' ' ' ILE . 60.6 mtt180 -82.23 118.96 23.5 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 176.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 45.2 t -123.44 -5.58 7.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.635 0.731 . . . . 0.0 110.044 -178.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 59.32 178.09 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.629 -1.169 . . . . 0.0 111.306 -176.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.1 pt -96.6 15.48 2.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.322 0.582 . . . . 0.0 110.423 175.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.8 mp -95.31 -9.09 34.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.325 -176.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -122.2 5.97 9.72 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.683 178.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.441 ' HB3' ' CB ' ' A' ' 10' ' ' CYS . 92.8 mt -120.24 132.85 55.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.192 0.52 . . . . 0.0 111.061 -175.023 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -122.7 118.76 28.36 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 175.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -66.03 134.16 35.96 Favored 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.588 2.192 . . . . 0.0 112.512 -178.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 81.6 p -88.24 -171.03 3.2 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.892 0.377 . . . . 0.0 110.492 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -88.19 -3.86 58.81 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.487 177.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.556 ' HB3' HD21 ' A' ' 81' ' ' LEU . 14.0 mptt -103.01 140.15 37.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.648 174.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.42 ' HE2' ' HB2' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -147.86 156.94 43.25 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.112 179.712 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.666 HG21 HD12 ' A' ' 76' ' ' LEU . 32.4 pt -116.68 172.15 4.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.691 0.282 . . . . 0.0 110.734 177.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -117.5 95.15 4.82 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.545 -176.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.6 pt -132.4 170.73 19.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.781 0.324 . . . . 0.0 110.989 -179.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.401 ' HG2' ' N ' ' A' ' 65' ' ' LYS . 48.0 tt0 -97.41 160.13 14.51 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.138 178.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.401 ' N ' ' HG2' ' A' ' 64' ' ' GLN . 53.6 tttm -65.94 105.1 1.24 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.058 176.008 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 107.25 61.91 0.57 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.154 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.439 ' H ' ' CG1' ' A' ' 25' ' ' VAL . . . -114.5 154.87 27.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.72 0.295 . . . . 0.0 110.827 179.612 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 32.4 m -105.15 -178.43 3.65 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.412 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -52.18 -51.99 54.74 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.865 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -60.91 -37.58 82.76 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -178.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -69.02 -47.64 64.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.907 0.384 . . . . 0.0 110.048 -178.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 94.8 t -61.86 -45.63 98.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.052 176.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.44 ' HB2' ' HE3' ' A' ' 73' ' ' LYS . 34.7 ttmt -55.83 -45.4 78.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.999 178.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.459 ' O ' ' HG2' ' A' ' 78' ' ' GLU . 13.4 mptt -63.28 -47.34 82.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.409 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.464 ' HD3' ' HA ' ' A' ' 75' ' ' LYS . 28.1 mmtp -68.68 -29.87 68.42 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.809 0.299 . . . . 0.0 111.809 -179.001 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.666 HD12 HG21 ' A' ' 61' ' ' ILE . 5.1 mp -64.82 -43.67 92.37 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 171.269 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -64.03 -44.94 91.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.456 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 16.3 mm-40 -52.99 -41.88 65.02 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.507 177.177 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.3 m -90.39 -5.57 55.99 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.401 -176.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 14.8 m120 60.13 33.08 21.15 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.349 0.595 . . . . 0.0 110.279 -175.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.556 HD21 ' HB3' ' A' ' 59' ' ' LYS . 30.6 tp -103.73 1.6 31.98 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.867 -174.236 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.616 ' HA ' HD23 ' A' ' 76' ' ' LEU . 10.7 m -54.03 -42.16 68.85 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.701 -178.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -58.1 -51.8 68.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.455 -177.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -64.77 -23.26 67.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.223 -176.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -88.9 -41.59 12.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.368 -179.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 54.9 tttp -68.68 -46.97 67.68 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 123.291 0.369 . . . . 0.0 111.83 -175.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -74.59 123.78 25.46 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.469 ' HB2' ' CA ' ' A' ' 19' ' ' GLY . 65.7 pttt -71.35 150.93 44.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.106 0.479 . . . . 0.0 111.461 -174.318 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.483 ' HB ' ' O ' ' A' ' 18' ' ' ALA . 48.9 mm -75.43 148.03 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.154 -178.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -102.98 112.9 25.95 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -175.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 15.5 tt -76.43 146.92 8.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 175.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 50.2 mtp180 -82.14 89.86 6.52 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.867 0.365 . . . . 0.0 110.235 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.406 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 28.1 ttt -88.0 119.31 70.4 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.491 -179.269 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 93' ' ' MET . 16.3 Cg_exo -68.37 -24.97 36.44 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.885 2.39 . . . . 0.0 112.486 -178.19 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.9 m -91.54 116.45 28.88 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.633 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.3 pt? . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.837 -0.602 . . . . 0.0 110.216 178.199 . . . . . . . . 0 0 . 1 stop_ save_